In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 36 | Yes |
Popular Name: 1-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-3-(m-tolyl)-1-[(1S)-1-phenylethyl]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) | 4.98 | 13.69 | -14.29 | 1 | 6 | 0 | 56 | 484.644 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 15.91 | -52.78 | 2 | 6 | 1 | 57 | 485.652 | 8 | ↓ |