In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 5.63 | 14.98 | -40.8 | 1 | 4 | 1 | 20 | 402.562 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.63 | 12.77 | -6.48 | 0 | 4 | 0 | 19 | 401.554 | 8 | ↓ |