In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 18 | No |
Popular Name: (2S)-N-cyclohexyl-N-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide (2S)-N-cyclohexyl-N-ethyl-2-[(Z)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.21 | 3.47 | -10.86 | 3 | 5 | 0 | 79 | 255.362 | 5 | ↓ |
Popular Name: 3-[(2R,3R)-2,3-dimethyl-1-piperidyl]-N'-hydroxy-3-oxo-propanamidine 3-[(2R,3R)-2,3-dimethyl-1-piperi…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.43 | 2.03 | -13.96 | 3 | 5 | 0 | 79 | 213.281 | 2 | ↓ |
Popular Name: 3-[(2R,3S)-2,3-dimethyl-1-piperidyl]-N'-hydroxy-3-oxo-propanamidine 3-[(2R,3S)-2,3-dimethyl-1-piperi…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.43 | 2.05 | -12.27 | 3 | 5 | 0 | 79 | 213.281 | 2 | ↓ |
Popular Name: 3-[(2S,3R)-2,3-dimethyl-1-piperidyl]-N'-hydroxy-3-oxo-propanamidine 3-[(2S,3R)-2,3-dimethyl-1-piperi…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.43 | 2.07 | -12.41 | 3 | 5 | 0 | 79 | 213.281 | 2 | ↓ |
Popular Name: 3-[(2S,3S)-2,3-dimethyl-1-piperidyl]-N'-hydroxy-3-oxo-propanamidine 3-[(2S,3S)-2,3-dimethyl-1-piperi…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.43 | 2.03 | -13.96 | 3 | 5 | 0 | 79 | 213.281 | 2 | ↓ |
Popular Name: 2-ethyl-N'-hydroxy-2-(piperidine-1-carbonyl)butanamidine 2-ethyl-N'-hydroxy-2-(piperidine…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.42 | 1.95 | -9.89 | 3 | 5 | 0 | 79 | 241.335 | 4 | ↓ |
Popular Name: (3Z)-3-amino-N-cyclohexyl-N-ethyl-3-hydroxyimino-propanamide (3Z)-3-amino-N-cyclohexyl-N-ethy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.23 | 3.3 | -12.32 | 3 | 5 | 0 | 79 | 227.308 | 4 | ↓ |
Popular Name: (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyimino-propanamide (3Z)-3-amino-N,N-dicyclohexyl-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.76 | 5.66 | -11.12 | 3 | 5 | 0 | 79 | 281.4 | 4 | ↓ |
Popular Name: (3Z)-3-amino-N-cyclohexyl-3-hydroxyimino-N-methyl-propanamide (3Z)-3-amino-N-cyclohexyl-3-hydr…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.86 | 2.33 | -13.96 | 3 | 5 | 0 | 79 | 213.281 | 3 | ↓ |