In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 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) | 3.41 | 11.76 | -76.45 | 1 | 7 | 0 | 87 | 473.573 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.41 | 11.01 | -52.49 | 2 | 7 | 1 | 84 | 474.581 | 10 | ↓ |