In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 31 | Yes |
Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethoxy-benzamide N-[(2S)-2-(1,3-benzodioxol-5-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) | 2.17 | 5.66 | -52.97 | 2 | 8 | 1 | 74 | 428.509 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 5.67 | -51.22 | 2 | 8 | 1 | 74 | 428.509 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 3.3 | -14.35 | 1 | 8 | 0 | 73 | 427.501 | 7 | ↓ |