In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 14 | 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 | 4.63 | -90.84 | 5 | 2 | 2 | 44 | 194.322 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 4.23 | -35.62 | 4 | 2 | 1 | 43 | 193.314 | 5 | ↓ |