In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 18 | No |
Popular Name: 4-[(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]piperazin-2-one 4-[(1R)-2-(3-chlorophenyl)-1-met…
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) | 1.94 | 3.05 | -16.18 | 1 | 4 | 0 | 49 | 266.728 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 5.2 | -52.67 | 2 | 4 | 1 | 51 | 267.736 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.