In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 29 | Yes |
Popular Name: 6-[(3S)-3-methylpiperazin-1-yl]-N-(4-phenoxyphenyl)pyridine-3-carboxamide 6-[(3S)-3-methylpiperazin-1-yl]-…
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) | 3.77 | 9.49 | -50.58 | 3 | 6 | 1 | 71 | 389.479 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 8.24 | -11.13 | 2 | 6 | 0 | 66 | 388.471 | 5 | ↓ |