In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2009 | 17 | Yes |
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) | 0.47 | -0.57 | -39.97 | 6 | 5 | 1 | 100 | 236.295 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.47 | -0.9 | -10.73 | 5 | 5 | 0 | 98 | 235.287 | 5 | ↓ |