UCSF

ZINC56687618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 18 No

Popular Name: 2-[(diethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-4-thiol 2-[(diethylamino)methyl]-5,6-dim…

Find On: PubMed — Wikipedia — Google

CAS Number: 855991-74-1

Other Names:

MFCD07311522

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) 2.35 6.84 -22.52 1 3 0 32 281.45 4 ↓
Lo Low (pH 4.5-6) 2.35 8.92 -50.45 2 3 1 33 282.458 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 120 Enamine Building Blocks
MP 118...120 Enamine Building Blocks
MP 119 - 120 Enamine Building Blocks
MP 120 - 120 Enamine Building Blocks
MP 120 - 122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Rings

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

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