In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2008 | 22 | 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) | 3.04 | 7.69 | -8.09 | 1 | 3 | 0 | 42 | 298.43 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.04 | 8.05 | -41.25 | 2 | 3 | 1 | 43 | 299.438 | 3 | ↓ |