In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 17 | 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) | 0.79 | 1.8 | -12.45 | 2 | 6 | 0 | 76 | 236.275 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.79 | 2.14 | -35.18 | 3 | 6 | 1 | 77 | 237.283 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.