In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 32 | 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) | 2.78 | 8 | -24.41 | 3 | 10 | 0 | 126 | 450.48 | 5 | ↓ |
Ref Reference (pH 7) | 3.69 | 7.55 | -49.67 | 1 | 10 | -1 | 127 | 449.472 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 8 | -38.59 | 3 | 10 | 0 | 126 | 450.48 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 7.84 | -53.03 | 2 | 10 | -1 | 125 | 449.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.