In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 33 | 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) | 5.65 | 11.5 | -19.18 | 2 | 6 | 0 | 84 | 497.407 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.83 | 9.85 | -46.24 | 1 | 6 | -1 | 90 | 496.399 | 7 | ↓ |