In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 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) | 5.01 | 10.09 | -27.56 | 1 | 8 | 0 | 94 | 507.399 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.83 | 9.03 | -40.9 | 0 | 8 | -1 | 100 | 506.391 | 7 | ↓ |