In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 13 | 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) | 1.89 | 3.79 | -44.21 | 3 | 3 | 1 | 45 | 182.291 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 3.58 | -4.62 | 2 | 3 | 0 | 44 | 181.283 | 4 | ↓ |