UCSF

ZINC00153824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 No

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) -0.45 1.23 -35.63 0 4 -1 66 149.129 2
Mid Mid (pH 6-8) 0.08 0.33 -13.51 0 4 0 60 150.137 3

Vendor Notes

Note Type Comments Provided By
MP 205-208° (dec.) Fluorochem
MP 205-208°(dec) Matrix Scientific
Purity 95% Fluorochem
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.