UCSF

ZINC02795253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 Yes

Popular Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-3-ium-2-yl]thio]-N-cyclohexyl-acetamide 2-[[6-amino-4-keto-1-(m-tolyl)py…

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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) 3.19 8.21 -34 4 6 1 91 373.502 5 ↓
Mid Mid (pH 6-8) 3.19 7.23 -18.04 3 6 0 90 372.494 5 ↓

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

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