UCSF

ZINC02795227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 No

Popular Name: (1Z)-2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-3-ium-2-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acet (1Z)-2-[[6-amino-4-keto-1-(m-tol…

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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) 1.60 5.4 -44.63 3 8 0 123 388.478 5 ↓
Hi High (pH 8-9.5) 1.60 4.41 -58.66 2 8 -1 122 387.47 5 ↓
Mid Mid (pH 6-8) 1.42 5.62 -25.66 3 8 0 116 388.478 5 ↓

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

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