In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 16th, 2008 | 29 | 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) | 2.60 | 8.53 | -68.7 | 1 | 7 | 0 | 87 | 398.459 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 7.79 | -46.77 | 2 | 7 | 1 | 84 | 399.467 | 9 | ↓ |