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) | -0.68 | 1.86 | -38.67 | 1 | 8 | 1 | 82 | 331.4 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.68 | 3.74 | -49.51 | 1 | 8 | 1 | 82 | 331.4 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.68 | 1.43 | -10.69 | 0 | 8 | 0 | 80 | 330.392 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.68 | 4.17 | -111.51 | 2 | 8 | 2 | 83 | 332.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.