In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 27 | 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) | 2.42 | 5.59 | -9.54 | 1 | 5 | 0 | 48 | 376.382 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 7.87 | -48.44 | 2 | 5 | 1 | 50 | 377.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.