In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 19 | 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) | 1.39 | 2.13 | -12.7 | 3 | 5 | 0 | 74 | 257.293 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 2.59 | -39.96 | 4 | 5 | 1 | 75 | 258.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.