UCSF

ZINC15936544

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 20 No

Popular Name: 5,6-dimethyl-3-(pyridin-2-ylmethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-(pyridin-2-ylmeth…

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CAS Number: 861239-58-9

Other Names:

MFCD04969630

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) 1.82 7.66 -12.12 1 4 0 51 303.412 2 ↓
Hi High (pH 8-9.5) 2.28 6.53 -41.33 0 4 -1 54 302.404 2 ↓
Lo Low (pH 4.5-6) 2.55 7.24 -34.24 1 4 1 49 304.42 2 ↓
Lo Low (pH 4.5-6) 1.82 8.37 -28.28 2 4 1 52 304.42 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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