UCSF

ZINC42153334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 Yes

Popular Name: 6-methyl-2-[3-(1,2,4-triazol-1-yl)propylsulfanyl]pyrimidin-4-amine 6-methyl-2-[3-(1,2,4-triazol-1-y…

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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) 0.95 6.46 -14.15 2 6 0 83 250.331 5 ↓
Lo Low (pH 4.5-6) 0.95 6.88 -33.68 3 6 1 84 251.339 5 ↓

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

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