UCSF

ZINC71790932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2012 13 Yes

Popular Name: 2-(propan-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine 2-(propan-2-yl)-5H,6H,7H,8H-pyri…

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CAS Number: 1354963-17-9

Other Names:

MFCD20501899

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) 0.98 3.72 -45.89 2 3 1 42 178.259 1 ↓
Mid Mid (pH 6-8) 0.98 2.38 -5.68 1 3 0 38 177.251 1 ↓

Vendor Notes

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

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Rings

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

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