In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 36 | 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) | 5.63 | 13.94 | -20.32 | 1 | 8 | 0 | 95 | 513.604 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.82 | 12.53 | -54.01 | 0 | 8 | -1 | 101 | 512.596 | 7 | ↓ |