In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 37 | 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) | -0.68 | 7.74 | -62.04 | 4 | 11 | -1 | 173 | 509.539 | 10 | ↓ |
Hi High (pH 8-9.5) | -0.23 | 6.02 | -108.95 | 3 | 11 | -2 | 177 | 508.531 | 10 | ↓ |