In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 16 | 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) | 0.97 | 5.31 | -83.1 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.97 | 7.38 | -173.89 | 4 | 3 | 3 | 25 | 228.404 | 3 | ↓ |