UCSF

ZINC01360921

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Popular Name: Acetic acid, [[1-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-, ethyl ester (9CI) Acetic acid, [[1-[2-[(1,1-dimeth…

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CAS Number: 606091-65-0

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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) 2.95 8.69 -15.15 1 6 0 73 349.456 8 ↓
Lo Low (pH 4.5-6) 2.95 9.15 -33.12 2 6 1 74 350.464 8 ↓

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