In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 22 | 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) | 0.53 | 1.6 | -44.95 | 4 | 6 | 1 | 85 | 310.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 2.16 | -7.3 | 3 | 6 | 0 | 83 | 309.362 | 5 | ↓ |