In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | Yes |
None
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) | 2.55 | 5.99 | -9.92 | 1 | 5 | 0 | 54 | 343.452 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 8.7 | -47.79 | 2 | 5 | 1 | 56 | 344.46 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.