In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 38 | 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) | 5.21 | 14.75 | -83.77 | 1 | 8 | 0 | 96 | 526.674 | 17 | ↓ |
Lo Low (pH 4.5-6) | 5.21 | 13.87 | -57.41 | 2 | 8 | 1 | 94 | 527.682 | 17 | ↓ |