UCSF

ZINC01529138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 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) 0.99 2.59 -54.2 0 4 -1 66 173.151 1
Lo Low (pH 4.5-6) 0.99 2.86 -70.43 1 4 0 67 174.159 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Matrix Scientific
MP >200° (dec.) Oakwood Chemical
Warnings IRRITANT Matrix Scientific

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

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