In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 35 | Yes |
Popular Name: 1-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-3-(3-cyanophenyl)-1-(2-furylmethyl)urea 1-[3-(4-benzylpiperazin-1-yl)-3-…
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) | 2.99 | 11.25 | -23.78 | 1 | 8 | 0 | 93 | 471.561 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 13.46 | -60.44 | 2 | 8 | 1 | 94 | 472.569 | 8 | ↓ |