In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 12 | 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) | 1.15 | 3.07 | -31.09 | 2 | 3 | 1 | 35 | 176.28 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.15 | 1.84 | -2.8 | 1 | 3 | 0 | 30 | 175.272 | 8 | ↓ |