In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 25 | 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) | 3.24 | 7.42 | -55.82 | 0 | 5 | -1 | 70 | 401.236 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 6.67 | -13.07 | 1 | 5 | 0 | 67 | 402.244 | 4 | ↓ |