In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | Yes |
Popular Name: N-[2-(4-allylpiperazin-1-yl)phenyl]-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide N-[2-(4-allylpiperazin-1-yl)phen…
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) | 4.50 | 9.51 | -45.83 | 2 | 6 | 1 | 63 | 443.98 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 7.27 | -8.37 | 1 | 6 | 0 | 62 | 442.972 | 7 | ↓ |