In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 23 | Yes |
Popular Name: 1-(1-benzylsulfonyl-4-piperidyl)-4-methyl-piperazine 1-(1-benzylsulfonyl-4-piperidyl)…
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) | 1.62 | 5.6 | -47.21 | 1 | 5 | 1 | 45 | 338.497 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 3.13 | -10.4 | 0 | 5 | 0 | 44 | 337.489 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 5.41 | -50.32 | 1 | 5 | 1 | 45 | 338.497 | 4 | ↓ |