In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 37 | Yes |
Popular Name: 1-[(1R)-2-(4-benzylpiperazin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(m-tolyl)urea 1-[(1R)-2-(4-benzylpiperazin-1-y…
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) | 4.45 | 10.15 | -11.35 | 3 | 7 | 0 | 80 | 495.627 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 12.37 | -52.45 | 4 | 7 | 1 | 82 | 496.635 | 7 | ↓ |