In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 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) | 2.73 | 7.8 | -33.03 | 1 | 9 | 0 | 97 | 465.535 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 6.73 | -51.67 | 0 | 9 | -1 | 103 | 464.527 | 5 | ↓ |