In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 37 | No |
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) | 2.90 | 13.98 | -74.14 | 1 | 9 | 0 | 101 | 506.603 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 12.67 | -57.62 | 2 | 9 | 1 | 98 | 507.611 | 11 | ↓ |