In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 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) | 4.02 | 10.97 | -12.83 | 1 | 5 | 0 | 58 | 273.384 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.02 | 11.46 | -29.24 | 2 | 5 | 1 | 59 | 274.392 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.