In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 30 | 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) | 5.50 | 7.2 | -18.02 | 3 | 6 | 0 | 95 | 457.964 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.95 | 5.95 | -47.78 | 2 | 6 | -1 | 98 | 456.956 | 5 | ↓ |