UCSF

ZINC19789694

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 14 No

Popular Name: 4-(2-Dimethylamino-ethylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol 4-(2-Dimethylamino-ethylamino)-1…

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CAS Numbers: 347364-76-5 , N/A

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) -1.27 -4.29 -58.59 3 5 1 74 223.318 4 ↓
Hi High (pH 8-9.5) -1.27 -5.62 -13.61 2 5 0 70 222.31 4 ↓
Mid Mid (pH 6-8) -1.27 -1.3 -109.69 3 5 1 78 223.318 4 ↓
Mid Mid (pH 6-8) -1.27 -3.07 -48.48 3 5 1 71 223.318 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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