UCSF

ZINC01383845

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

Popular Name: 3-(3-fluorobenzyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile 3-(3-fluorobenzyl)-2,4-dimethyli…

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CAS Number: 477890-40-7

Other Names:

MFCD02571880

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) 2.86 3.6 -18.28 0 4 0 53 280.306 2 ↓
Mid Mid (pH 6-8) 2.86 3.82 -47.76 1 4 1 55 281.314 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 192 - 195 KeyOrganics

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Rings

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

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