In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 33 | 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) | 4.59 | 4.43 | -44.09 | 3 | 8 | 0 | 113 | 459.359 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 3.98 | -51.45 | 2 | 8 | -1 | 112 | 458.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.