In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2006 | 13 | 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) | 0.42 | 4.08 | -33.37 | 1 | 3 | 1 | 27 | 179.243 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.42 | 4.34 | -101.65 | 2 | 3 | 2 | 28 | 180.251 | 2 | ↓ |