In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 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) | 2.50 | 5.99 | -14.38 | 1 | 4 | 0 | 45 | 269.348 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 6.42 | -37.9 | 2 | 4 | 1 | 46 | 270.356 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.