In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 23 | 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) | -0.21 | 3.71 | -39.43 | 1 | 8 | 1 | 82 | 317.373 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 5.6 | -51.83 | 1 | 8 | 1 | 82 | 317.373 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 3.29 | -10.84 | 0 | 8 | 0 | 80 | 316.365 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 6.03 | -114.44 | 2 | 8 | 2 | 83 | 318.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.