In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2014 | 14 | 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 | 4.78 | -5.64 | 0 | 3 | 0 | 39 | 195.262 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 5.79 | -31.31 | 1 | 3 | 1 | 40 | 196.27 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.