UCSF

ZINC09090068

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 No

Popular Name: 2-(4-dimethylaminophenyl)-4-hydroxy-1-phenyl-6-sulfanyl-2H-pyrimidine-5-carbonitrile 2-(4-dimethylaminophenyl)-4-hydr…

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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) 2.96 9.33 -45.23 1 5 -1 59 349.439 3 ↓
Hi High (pH 8-9.5) 3.14 6.79 -114.7 0 5 -2 66 348.431 3 ↓
Lo Low (pH 4.5-6) 3.14 6.83 -51.54 2 5 0 64 350.447 3 ↓
Lo Low (pH 4.5-6) 2.96 10.09 -56.76 2 5 0 61 350.447 3 ↓

Activity (Go SEA)

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