In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 25 | 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) | 4.14 | 8.89 | -49.76 | 2 | 4 | -1 | 81 | 349.491 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.14 | 6.92 | -8.25 | 3 | 4 | 0 | 78 | 350.499 | 10 | ↓ |