UCSF

ZINC12538523

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 21 Yes

Popular Name: 4-amino-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile 4-amino-2-[(6-chloroimidazo[1,2-…

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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) 2.66 7.12 -10.3 2 6 0 93 316.777 3 ↓
Mid Mid (pH 6-8) 2.66 7.56 -35.31 3 6 1 94 317.785 3 ↓
Lo Low (pH 4.5-6) 2.66 7.37 -41.75 3 6 1 94 317.785 3 ↓
Lo Low (pH 4.5-6) 2.66 3.81 -35.02 3 6 1 94 317.785 3 ↓
Lo Low (pH 4.5-6) 2.66 7.81 -97.34 4 6 2 95 318.793 3 ↓
Lo Low (pH 4.5-6) 2.66 4.24 -83.99 4 6 2 95 318.793 3 ↓

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Rings

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

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