In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 34 | 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) | 6.54 | 15.24 | -51.24 | 2 | 4 | 1 | 46 | 509.017 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.60 | 13.8 | -68.59 | 1 | 4 | 0 | 53 | 508.009 | 7 | ↓ |