In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 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) | 2.68 | 6.66 | -25.8 | 3 | 3 | 1 | 43 | 232.351 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 6.34 | -4.56 | 2 | 3 | 0 | 42 | 231.343 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.