UCSF

ZINC13410036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 28 Yes

Popular Name: 4-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(1-allylbenzimidazol-2-yl)sul…

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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) 4.50 10.31 -50.05 1 6 -1 91 410.5 6 ↓
Lo Low (pH 4.5-6) 4.50 10.76 -53.88 2 6 0 92 411.508 6 ↓

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

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