UCSF

ZINC04118218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 27 No

Other Names:

MFCD00169220

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) 5.74 3.91 -12.73 0 4 0 52 358.393 7

Vendor Notes

Note Type Comments Provided By
melting_point 153 - 154 KeyOrganics
mp 155 - 156 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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