UCSF

ZINC22042790

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 Yes

Popular Name: 1H-1,4-Diazepine-1-acetic acid, hexahydro-4-methyl-alpha-p-tolyl-, ethyl ester; 4-Methyl-alpha-p-tolylhexahydro-1H-1,4-diazepine-1-acetic acid ethyl ester; BRN 0543372; LS-60156 1H-1,4-Diazepine-1-acetic acid, …

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Annotations

Vendors

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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) 2.77 9.5 -36.68 1 4 1 34 291.415 5 ↓
Mid Mid (pH 6-8) 2.77 7.65 -4.74 0 4 0 33 290.407 5 ↓

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