UCSF

ZINC03852451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.31 7.71 -6.94 1 4 0 47 273.723 1
Mid Mid (pH 6-8) 2.49 7.89 -34.82 2 4 1 52 274.731 1

Vendor Notes

Note Type Comments Provided By
mp 177 - 178 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.