In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 21 | 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) | 2.43 | 8.26 | -52.78 | 3 | 2 | 1 | 37 | 282.338 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 7.97 | -5.53 | 2 | 2 | 0 | 35 | 281.33 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.