UCSF

ZINC66199531

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 31 No

Popular Name: benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]amino]-, methyl ester benzo[b]thiophene-3-carboxylic a…

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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) 5.93 14.4 -16.05 2 5 0 67 458.649 9 ↓
Hi High (pH 8-9.5) 6.12 12.93 -43.24 1 5 -1 74 457.641 9 ↓

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

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