In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 17 | Yes |
Popular Name: 3-[(7-chloro-4-quinolyl)-methyl-amino]propanenitrile 3-[(7-chloro-4-quinolyl)-methyl-…
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) | 2.39 | 6.89 | -40.88 | 1 | 3 | 1 | 41 | 246.721 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 6.49 | -10.85 | 0 | 3 | 0 | 40 | 245.713 | 3 | ↓ |