UCSF

ZINC02085944

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 29 No

Popular Name: 5-[(3-chloro-1-benzothien-2-yl)carbonyl]-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(3-chloro-1-benzothien-2-yl)c…

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Other Names:

MFCD01565690

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) 7.53 0.66 -9.46 0 2 0 20 474.097 1 ↓

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

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