UCSF

ZINC71555400

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 30 Yes

Popular Name: 2,8-dimethyl-N-[4-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxo-butyl]imidazo[1 2,8-dimethyl-N-[4-[(5-methyl-6,7…

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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) 2.08 6.13 -19.62 2 8 0 92 426.546 6 ↓
Mid Mid (pH 6-8) 2.08 8.84 -57.7 3 8 1 93 427.554 6 ↓
Lo Low (pH 4.5-6) 2.08 9.28 -81.84 4 8 2 94 428.562 6 ↓

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

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