In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 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) | 3.58 | 6.99 | -59.05 | 3 | 1 | 1 | 28 | 234.269 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 6.73 | -4.9 | 2 | 1 | 0 | 26 | 233.261 | 2 | ↓ |