UCSF

ZINC65565465

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 21 Yes

Popular Name: (6R)-N-[(3-tert-butyl-1H-pyrazol-4-yl)methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyri (6R)-N-[(3-tert-butyl-1H-pyrazol…

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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) 1.39 6.82 -64.54 3 6 1 76 289.407 4 ↓
Hi High (pH 8-9.5) 1.39 6.38 -15.03 2 6 0 71 288.399 4 ↓
Hi High (pH 8-9.5) 1.39 6.37 -13.22 2 6 0 71 288.399 4 ↓
Mid Mid (pH 6-8) 1.39 6.74 -61.35 3 6 1 76 289.407 4 ↓

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

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