UCSF

ZINC22749284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 Yes

Popular Name: 3-[3-cyclopropyl-5-[2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-y 3-[3-cyclopropyl-5-[2-[[4-(4-flu…

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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) 1.53 7.94 -20.66 3 8 0 116 446.533 9 ↓
Hi High (pH 8-9.5) 1.71 6.87 -48.41 2 8 -1 122 445.525 9 ↓

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Rings

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

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