UCSF

ZINC75620399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2012 16 Yes

Popular Name: 4-Hydroxy-6-methyl-2-phenylpyrimidine-5-carbonitrile 4-Hydroxy-6-methyl-2-phenylpyrim…

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CAS Number: 82114-04-3

Other Names:

MFCD21607097

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) 2.15 3.49 -45.09 0 4 -1 73 210.216 1 ↓
Lo Low (pH 4.5-6) 1.70 4.77 -23.87 1 4 0 70 211.224 1 ↓
Lo Low (pH 4.5-6) 1.70 5.44 -11.54 1 4 0 70 211.224 1 ↓

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

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