UCSF

ZINC65529139

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 No

Popular Name: 3-chloro-5-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-isobutyl-1,3-dihydro-1,2,4-triazol-3-yl]-1H- 3-chloro-5-[(3S)-2-(2,3-dihydro-…

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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) 3.35 6.6 -53.46 3 7 1 81 389.863 4 ↓
Hi High (pH 8-9.5) 3.81 4.85 -55.49 2 7 0 84 388.855 4 ↓

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

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