In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 14 | 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) | 1.89 | 3.9 | -8.25 | 1 | 3 | 0 | 36 | 198.241 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 4.25 | -24.43 | 2 | 3 | 1 | 38 | 199.249 | 5 | ↓ |