In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 20 | 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) | 3.78 | 5.2 | -8.84 | 2 | 3 | 0 | 49 | 262.312 | 0 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 5.46 | -36.94 | 3 | 3 | 1 | 50 | 263.32 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.