In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 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) | 2.74 | 5.81 | -6.56 | 2 | 3 | 0 | 48 | 260.362 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 6.26 | -34.52 | 3 | 3 | 1 | 49 | 261.37 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.