In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 18 | Yes |
Popular Name: (4-isopropylpiperazin-1-yl)-[(3S,6R)-6-methyl-3-piperidyl]methanone (4-isopropylpiperazin-1-yl)-[(3S…
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) | 1.12 | 3.95 | -37.47 | 2 | 4 | 1 | 40 | 254.398 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 6.32 | -90.19 | 3 | 4 | 2 | 41 | 255.406 | 2 | ↓ |