UCSF

ZINC54426022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 24 Yes

Popular Name: (4R)-4-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2 (4R)-4-(5-chloro-3-isopropyl-1-m…

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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) 2.88 7.71 -18.27 3 7 0 86 343.822 2 ↓
Mid Mid (pH 6-8) 2.88 8.19 -37.6 4 7 1 88 344.83 2 ↓

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

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