In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 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) | 3.45 | 3.75 | -5.25 | 0 | 4 | 0 | 39 | 278.396 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 5.89 | -34.28 | 1 | 4 | 1 | 40 | 279.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.