In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 25 | 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) | -0.88 | 2.75 | -38.53 | 1 | 8 | 1 | 82 | 343.411 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.88 | 4.63 | -49.23 | 1 | 8 | 1 | 82 | 343.411 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.88 | 2.33 | -10.83 | 0 | 8 | 0 | 80 | 342.403 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.88 | 5.06 | -111.33 | 2 | 8 | 2 | 83 | 344.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.