In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 24 | 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) | 4.09 | 9.78 | -51.47 | 1 | 5 | -1 | 86 | 315.308 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 9.17 | -26.5 | 2 | 5 | 0 | 87 | 316.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.