In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2011 | 16 | 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) | 2.34 | 5.6 | -37.55 | 2 | 2 | 1 | 20 | 217.336 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 7.03 | -31.57 | 2 | 2 | 1 | 16 | 217.336 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 4.59 | -2.15 | 1 | 2 | 0 | 15 | 216.328 | 2 | ↓ |