UCSF

ZINC12358827

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 19 Yes

Popular Name: C.I. 52010 C.I. 52010

Find On: PubMed — Wikipedia — Google

CAS Numbers: 531-55-5 , 79288-94-1 , [531-55-5]

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) -0.15 -2 -24.28 1 3 1 28 270.381 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 205? dec. Alfa-Aesar
Melting_Point ca 205° dec. Alfa-Aesar

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