In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 35 | 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) | 4.77 | 13.47 | -71.49 | 1 | 9 | 0 | 124 | 483.565 | 14 | ↓ |
Lo Low (pH 4.5-6) | 4.77 | 12.72 | -51.81 | 2 | 9 | 1 | 121 | 484.573 | 14 | ↓ |