In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2006 | 21 | 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) | 2.62 | 6.88 | -9.59 | 1 | 4 | 0 | 55 | 299.33 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 7.17 | -39.96 | 2 | 4 | 1 | 56 | 300.338 | 3 | ↓ |