In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 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) | 3.42 | 5.97 | -11.21 | 2 | 3 | 0 | 48 | 272.254 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 6.44 | -37.81 | 3 | 3 | 1 | 49 | 273.262 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.