UCSF

ZINC67072867

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 24 No

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-5-methyl-imidazo[1,2-a]pyridine-2-carboxamide N-[2-(4-isopropyl-5-sulfanyl-1,2…

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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) 0.72 8.27 -20.13 2 7 0 80 344.444 5 ↓
Mid Mid (pH 6-8) 1.45 8.21 -53.86 1 7 -1 77 343.436 5 ↓
Lo Low (pH 4.5-6) 0.72 8.77 -48.76 3 7 1 81 345.452 5 ↓

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

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