In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2006 | 17 | 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) | 2.13 | 4.71 | -8.75 | 1 | 3 | 0 | 46 | 225.247 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 4.99 | -37.77 | 2 | 3 | 1 | 48 | 226.255 | 2 | ↓ |