UCSF

ZINC71589483

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 24 Yes

Popular Name: (4S)-5-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(1H-imidazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]p (4S)-5-[(5-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) 2.22 6.4 -38.58 4 7 1 91 326.428 4 ↓
Hi High (pH 8-9.5) 2.22 5.91 -12.55 3 7 0 89 325.42 4 ↓
Mid Mid (pH 6-8) 2.22 7.96 -38.62 4 7 1 90 326.428 4 ↓
Lo Low (pH 4.5-6) 2.22 6.91 -94.19 5 7 2 92 327.436 4 ↓

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

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