In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 28 | 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) | 3.80 | 6.35 | -17.82 | 2 | 8 | 0 | 102 | 404.492 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 5.28 | -42.61 | 1 | 8 | -1 | 109 | 403.484 | 8 | ↓ |