In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 33 | 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) | 1.80 | 6.41 | -55.6 | 3 | 7 | 1 | 78 | 457.639 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 8.68 | -112.35 | 4 | 7 | 2 | 80 | 458.647 | 7 | ↓ |