In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 15 | 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) | 3.86 | 8.53 | -35.78 | 2 | 1 | 1 | 17 | 271.222 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.86 | 7.66 | -1.88 | 1 | 1 | 0 | 12 | 270.214 | 6 | ↓ |