In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 20 | Yes |
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) | 3.72 | 7.49 | -52.45 | 1 | 4 | -1 | 69 | 317.192 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.72 | 6.37 | -14.95 | 2 | 4 | 0 | 66 | 318.2 | 8 | ↓ |