In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 24 | 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) | 0.36 | 4.21 | -37.92 | 1 | 8 | 1 | 82 | 331.4 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 6.06 | -45.45 | 1 | 8 | 1 | 82 | 331.4 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 3.8 | -10.08 | 0 | 8 | 0 | 80 | 330.392 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 6.5 | -107.49 | 2 | 8 | 2 | 83 | 332.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.