In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 32 | Yes |
Popular Name: 1-[(1S,2S)-1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-2-methyl-butyl]-3-phenyl-urea 1-[(1S,2S)-1-[4-[(E)-cinnamyl]pi…
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) | 4.65 | 9.56 | -9.51 | 2 | 6 | 0 | 65 | 434.584 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 11.8 | -50.97 | 3 | 6 | 1 | 66 | 435.592 | 8 | ↓ |