UCSF

ZINC04093137

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 26 Yes

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

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CAS Number: 606111-08-4

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) 3.35 11.47 -14.31 0 6 0 64 377.51 9 ↓
Lo Low (pH 4.5-6) 3.35 11.93 -32.26 1 6 1 66 378.518 9 ↓

Activity (Go SEA)

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