In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 34 | 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) | 5.02 | 9.27 | -10.05 | 2 | 6 | 0 | 81 | 457.574 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 9.65 | -45.13 | 3 | 6 | 1 | 82 | 458.582 | 7 | ↓ |