In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 36 | 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) | 3.34 | 13.24 | -68.46 | 1 | 10 | 0 | 128 | 491.548 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 12.49 | -57.82 | 2 | 10 | 1 | 125 | 492.556 | 9 | ↓ |