In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2011 | 15 | 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) | 0.36 | 1.53 | -7.26 | 4 | 4 | 0 | 67 | 205.261 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.36 | 1.39 | -51.88 | 5 | 4 | 1 | 69 | 206.269 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.