In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 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) | 0.89 | 0.99 | -41.38 | 3 | 3 | 1 | 40 | 199.318 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.89 | 3.31 | -102.27 | 4 | 3 | 2 | 41 | 200.326 | 2 | ↓ |