UCSF

ZINC14983574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 10 Yes

Other Names:

MFCD03788727

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) 1.72 2.87 -3.23 0 1 0 13 151.062 0

Vendor Notes

Note Type Comments Provided By
bp 92 - 92.5 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.