UCSF

ZINC02480731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 17 Yes

Other Names:

MFCD00444769

QA-3136

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) 4.05 9.77 -9.82 0 2 0 17 242.709 1
Mid Mid (pH 6-8) 4.05 10.22 -28.8 1 2 1 19 243.717 1

Vendor Notes

Note Type Comments Provided By
mp 100 - 101 MolMall (formerly Molecular Diversity Preservation International)
melting_point 141 - 143 KeyOrganics

Activity (Go SEA)

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