In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | No |
Popular Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-N-[(1S)-1-methylpropyl]propanamide 3-[(2,5-dimethyl-4-nitro-pyrazol…
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) | 1.06 | 4.74 | -10.61 | 2 | 8 | 0 | 105 | 283.332 | 7 | ↓ |
Popular Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-N-propyl-propanamide 3-[(2,5-dimethyl-4-nitro-pyrazol…
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) | 0.73 | 3.74 | -10.9 | 2 | 8 | 0 | 105 | 269.305 | 7 | ↓ |
Popular Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-1-pyrrolidin-1-yl-propan-1-one 3-[(2,5-dimethyl-4-nitro-pyrazol…
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) | 0.50 | 5.38 | -10.82 | 1 | 8 | 0 | 96 | 281.316 | 5 | ↓ |
Popular Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-N-(2-methoxyethyl)propanamide 3-[(2,5-dimethyl-4-nitro-pyrazol…
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) | -0.16 | 2.04 | -11.34 | 2 | 9 | 0 | 114 | 285.304 | 8 | ↓ |
Popular Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-N,N-diethyl-propanamide 3-[(2,5-dimethyl-4-nitro-pyrazol…
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) | 0.85 | 6 | -10.44 | 1 | 8 | 0 | 96 | 283.332 | 7 | ↓ |
Popular Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]propanamide 3-[(2,5-dimethyl-4-nitro-pyrazol…
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) | -0.52 | 0.64 | -11.49 | 3 | 8 | 0 | 119 | 227.224 | 5 | ↓ |