In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 16 | 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) | 1.52 | 3.49 | -8.05 | 3 | 3 | 0 | 55 | 218.3 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 3.73 | -51.45 | 4 | 3 | 1 | 57 | 219.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.