In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 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) | 2.17 | 6.01 | -52.71 | 1 | 5 | -1 | 78 | 278.328 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.17 | 4.89 | -15.25 | 2 | 5 | 0 | 76 | 279.336 | 10 | ↓ |