In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 36 | 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) | 5.07 | 14.37 | -47.54 | 1 | 7 | 1 | 70 | 507.632 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.07 | 11.91 | -14.11 | 0 | 7 | 0 | 68 | 506.624 | 9 | ↓ |