UCSF

ZINC65493791

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: (5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-y (5-benzyl-4,6,7,8-tetrahydropyra…

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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) 1.79 10.76 -94.43 2 6 2 47 369.513 4 ↓
Hi High (pH 8-9.5) 1.79 6.27 -12.72 0 6 0 45 367.497 4 ↓
Mid Mid (pH 6-8) 1.79 8.68 -45.26 1 6 1 46 368.505 4 ↓

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

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