In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 33 | Yes |
Popular Name: 4-butoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide 4-butoxy-N-[(2S)-2-(1-methylindo…
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) | 4.20 | 9.76 | -47.6 | 2 | 6 | 1 | 49 | 451.635 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 7.28 | -10.43 | 1 | 6 | 0 | 48 | 450.627 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 9.57 | -52.98 | 2 | 6 | 1 | 49 | 451.635 | 9 | ↓ |