In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 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) | 1.19 | 4.27 | -13.78 | 0 | 6 | 0 | 77 | 298.364 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 4.55 | -48.44 | 1 | 6 | 1 | 78 | 299.372 | 5 | ↓ |