UCSF

ZINC63958159

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 20 No

Popular Name: 2-[(2S)-4-methyl-2,5-dihydrothiazol-2-yl]-N-[(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanam 2-[(2S)-4-methyl-2,5-dihydrothia…

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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) 1.43 4.52 -52.62 3 5 1 71 290.416 5 ↓
Mid Mid (pH 6-8) 1.43 3.16 -10.95 2 5 0 66 289.408 5 ↓

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

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