In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 16 | Yes |
Popular Name: (4-methylpiperazin-1-yl)-[(3R,6S)-6-methyl-3-piperidyl]methanone (4-methylpiperazin-1-yl)-[(3R,6S…
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) | 0.44 | 2.5 | -42.51 | 2 | 4 | 1 | 40 | 226.344 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 4.9 | -100.78 | 3 | 4 | 2 | 41 | 227.352 | 1 | ↓ |