UCSF

ZINC55056211

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 27 No

Popular Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-amino-6-tert-butyl-N-(2-chloro…

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CAS Numbers: , 588692-38-0

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) 4.87 10.06 -7.94 2 6 0 99 407.923 4 ↓
Mid Mid (pH 6-8) 5.06 7.73 -46.61 1 6 -1 105 406.915 4 ↓
Mid Mid (pH 6-8) 5.57 9.26 -10.95 3 6 0 101 407.923 4 ↓
Mid Mid (pH 6-8) 5.06 7.74 -49.16 1 6 -1 105 406.915 4 ↓
Mid Mid (pH 6-8) 4.87 9.41 -14.13 2 6 0 99 407.923 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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