In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 24 | Yes |
Popular Name: (6aS)-3-(4-methylpiperazine-1-carbonyl)-5,6a,7,8,9,10-hexahydropyrido[2,1-c]quinoxalin-6-one (6aS)-3-(4-methylpiperazine-1-ca…
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) | 0.76 | 5.31 | -53.51 | 2 | 6 | 1 | 57 | 329.424 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 2.91 | -12.9 | 1 | 6 | 0 | 56 | 328.416 | 1 | ↓ |