UCSF

ZINC84842125

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 12 No

Popular Name: MBTH MBTH

Find On: PubMed — Wikipedia — Google

CAS Numbers: 149022-15-1 , 38894-11-0

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.58 2.4 -4.26 3 3 0 41 181.264 1 ↓
Lo Low (pH 4.5-6) 0.58 2.2 -45.31 4 3 1 43 182.272 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 270-274? Alfa-Aesar
Melting_Point 270-274° Alfa-Aesar
Melting_Point ca 275? dec. Alfa-Aesar
Melting_Point ca 275° dec. Alfa-Aesar

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

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