UCSF

ZINC36533759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 12 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) 2.90 4.49 -2.88 0 2 0 26 261.428 1

Vendor Notes

Note Type Comments Provided By
bp 44 - 45 (p=5 torr) MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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

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