In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 32 | Yes |
Popular Name: [(3S)-3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]piperidino]-(2,5-dimethyl-3-furyl)methanone [(3S)-3-[4-[(E)-cinnamyl]piperaz…
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) | 2.66 | 10.7 | -14.67 | 0 | 6 | 0 | 57 | 435.568 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 12.94 | -55.99 | 1 | 6 | 1 | 58 | 436.576 | 5 | ↓ |