UCSF

ZINC39764000

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 No

Popular Name: 2-[[(5S)-5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydro-1,2,4-triazol-3-yl]sulfanyl] 2-[[(5S)-5-[(1R)-1-(dimethylamin…

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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) 1.77 10.01 -45.2 2 8 1 82 473.598 8 ↓
Mid Mid (pH 6-8) 1.77 6.8 -12.95 1 8 0 81 472.59 8 ↓

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

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