In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 31 | 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) | 3.18 | 8.17 | -19.23 | 0 | 6 | 0 | 65 | 449.523 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.18 | 10.52 | -48.44 | 1 | 6 | 1 | 66 | 450.531 | 7 | ↓ |