In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 21 | Yes |
Popular Name: 4-[[(3S)-1-methyl-3-piperidyl]amino]quinoline-3-carboxylic 4-[[(3S)-1-methyl-3-piperidyl]am…
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) | 2.67 | 8.42 | -58.29 | 3 | 5 | 1 | 71 | 286.355 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 8.01 | -52.22 | 2 | 5 | 0 | 69 | 285.347 | 3 | ↓ |