UCSF

ZINC63958163

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 19 No

Popular Name: N-[[(2S)-2-methyl-2,3-dihydrothiophen-5-yl]methyl]-1-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methan N-[[(2S)-2-methyl-2,3-dihydrothi…

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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) 1.76 5.49 -8.86 2 4 0 54 274.393 4 ↓
Mid Mid (pH 6-8) 1.76 6.84 -51.86 3 4 1 58 275.401 4 ↓

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

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