UCSF

ZINC00296033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 5.11 0.24 -6.9 1 2 0 24 266.369 3

Vendor Notes

Note Type Comments Provided By
mp 131.5 - 132.5 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID US4766213 IBM Patent Data

Activity (Go SEA)

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