In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 32 | No |
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) | 4.35 | 1.11 | -9.5 | 0 | 8 | 0 | 77 | 448.914 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 1.54 | -37.2 | 1 | 8 | 1 | 78 | 449.922 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.