In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: N-(2-amino-5-chloro-phenyl)-2-[methyl(propyl)amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[m…
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) | 2.48 | 5.02 | -42.13 | 4 | 4 | 1 | 60 | 256.757 | 5 | ↓ |
Popular Name: N-(2-amino-5-chloro-phenyl)-2-[[(2S)-2-cyanopropyl]-methyl-amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[[…
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) | 2.13 | 5.38 | -54.75 | 4 | 5 | 1 | 83 | 281.767 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 3.39 | -12.71 | 3 | 5 | 0 | 82 | 280.759 | 5 | ↓ |
Popular Name: N-(2-amino-5-chloro-phenyl)-2-[[(2R)-2-cyanopropyl]-methyl-amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[[…
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) | 2.13 | 5.3 | -54.88 | 4 | 5 | 1 | 83 | 281.767 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 3.32 | -17.84 | 3 | 5 | 0 | 82 | 280.759 | 5 | ↓ |
Popular Name: N-(2-amino-5-chloro-phenyl)-2-[2-cyanoethyl(isobutyl)amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[2…
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) | 2.18 | 6.66 | -57.44 | 4 | 5 | 1 | 83 | 309.821 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 5.19 | -13.72 | 3 | 5 | 0 | 82 | 308.813 | 7 | ↓ |
Popular Name: N-(2-amino-5-chloro-phenyl)-2-[2-dimethylaminoethyl(propyl)amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[2…
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) | 2.51 | 4.5 | -42 | 4 | 5 | 1 | 63 | 313.853 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 4.95 | -37.73 | 4 | 5 | 1 | 63 | 313.853 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 6.97 | -121.87 | 5 | 5 | 2 | 64 | 314.861 | 8 | ↓ |
Popular Name: N-(2-amino-5-chloro-phenyl)-2-(dipropylamino)acetamide N-(2-amino-5-chloro-phenyl)-2-(d…
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) | 3.36 | 6.32 | -44.82 | 4 | 4 | 1 | 60 | 284.811 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 4.06 | -13.52 | 3 | 4 | 0 | 58 | 283.803 | 7 | ↓ |