In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2008 | 18 | 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) | 2.46 | 6.25 | -11.25 | 1 | 3 | 0 | 42 | 305.175 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 6.53 | -40.1 | 2 | 3 | 1 | 43 | 306.183 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.