In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 30 | No |
Popular Name: (3R)-3-(4-benzylpiperazin-1-yl)-1-(1-naphthyl)pyrrolidine-2,5-dione (3R)-3-(4-benzylpiperazin-1-yl)-…
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) | 2.82 | 9.77 | -14.17 | 0 | 5 | 0 | 44 | 399.494 | 4 | ↓ |
Ref Reference (pH 7) | 2.82 | 9.77 | -14.11 | 0 | 5 | 0 | 44 | 399.494 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 12.02 | -52.04 | 1 | 5 | 1 | 45 | 400.502 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 12.02 | -51.8 | 1 | 5 | 1 | 45 | 400.502 | 4 | ↓ |