In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 29 | Yes |
Popular Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide 2-(1,3-benzoxazol-2-ylsulfanyl)-…
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) | 4.23 | 8.95 | -50.61 | 2 | 6 | 1 | 63 | 431.969 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.23 | 6.73 | -10.86 | 1 | 6 | 0 | 62 | 430.961 | 6 | ↓ |