In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 13 | Yes |
Popular Name: 3-(methylamino)-1-(4-methylpiperazin-1-yl)propan-1-one 3-(methylamino)-1-(4-methylpiper…
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) | -0.39 | 1.2 | -47.08 | 2 | 4 | 1 | 40 | 186.279 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.39 | 3.62 | -98.51 | 3 | 4 | 2 | 41 | 187.287 | 3 | ↓ |