In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2009 | 34 | No |
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) | 4.03 | 12.07 | -69.48 | 1 | 7 | 0 | 83 | 466.578 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 9.85 | -57.21 | 0 | 7 | -1 | 82 | 465.57 | 11 | ↓ |