In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 15 | 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) | 1.07 | 5.49 | -32.06 | 2 | 3 | 1 | 40 | 208.329 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | 6.36 | -108.62 | 3 | 3 | 2 | 45 | 209.337 | 4 | ↓ |