In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 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) | 0.79 | 6.87 | -97.04 | 3 | 5 | 2 | 48 | 282.432 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.79 | 4.46 | -39.78 | 2 | 5 | 1 | 47 | 281.424 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.