UCSF

ZINC71589634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 23 Yes

Popular Name: 4-(2,6-dimethyl-3-pyridyl)-N-[2-(1H-triazol-5-ylsulfanyl)ethyl]pyrimidin-2-amine 4-(2,6-dimethyl-3-pyridyl)-N-[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) 1.68 6.38 -10.77 2 7 0 92 327.417 6 ↓
Hi High (pH 8-9.5) 1.68 6.37 -43.25 1 7 -1 91 326.409 6 ↓
Lo Low (pH 4.5-6) 1.68 6.76 -34.26 3 7 1 94 328.425 6 ↓

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

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