UCSF

ZINC00967515

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 11 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.34 4.04 -1.65 1 1 0 20 156.269 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 212-216? Alfa-Aesar
Boiling_Point 212-216° Alfa-Aesar
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
MP 34-36 °C(lit.) Indofine
Purity 95% Fluorochem
Target Glutathione S-transferase P(P09211)&72 kDa type IV collagenase(P08253) Herbal Ingredients Targets
PUBCHEM_PATENT_ID US4237072 IBM Patent Data

Activity (Go SEA)

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