UCSF

ZINC12951782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 27 No

Popular Name: 2-{5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione 2-{5-[(4-methoxyphenyl)methylene…

Find On: PubMed — Wikipedia — Google

CAS Number: 477868-42-1

Other Names:

MFCD00794156

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) 2.61 9.45 -20.05 0 6 0 69 402.497 3 ↓
Ref Reference (pH 7) 2.61 9.34 -17.85 0 6 0 69 402.497 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 175 KeyOrganics

Activity (Go SEA)

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