In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 32 | 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) | 6.12 | 10.38 | -11.33 | 1 | 6 | 0 | 80 | 520.807 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.12 | 11.3 | -49.35 | 0 | 6 | -1 | 83 | 519.799 | 6 | ↓ |