UCSF

ZINC63959838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 No

Popular Name: 6-[[(4R,5S)-1-butyl-4,5-dimethyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]-1-methyl-2H-pyrazolo[3,4-d 6-[[(4R,5S)-1-butyl-4,5-dimethyl…

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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) 2.03 7.79 -43.25 2 7 1 81 349.484 6 ↓
Hi High (pH 8-9.5) 2.49 4.42 -45.17 0 7 -1 82 347.468 6 ↓
Mid Mid (pH 6-8) 2.49 5.34 -46.62 1 7 0 84 348.476 6 ↓

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

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