In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 38 | 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 | 13.74 | -56.7 | 4 | 6 | 1 | 75 | 507.658 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.68 | 11.38 | -40.45 | 3 | 6 | 0 | 81 | 506.65 | 8 | ↓ |