In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 26 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butane-1,4-dione 1-(4-methylpiperazin-1-yl)-4-(1,…
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) | 1.28 | 6.45 | -13.95 | 1 | 6 | 0 | 60 | 354.454 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 8.83 | -50.22 | 2 | 6 | 1 | 61 | 355.462 | 3 | ↓ |