UCSF

ZINC62942386

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 Yes

Popular Name: N-[[4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-5-methyl-2-furyl]me N-[[4-[[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 1.64 7.89 -77.31 3 4 2 37 293.455 5 ↓
Hi High (pH 8-9.5) 1.64 6.33 -37.44 2 4 1 36 292.447 5 ↓
Lo Low (pH 4.5-6) 1.64 9.79 -171.97 4 4 3 39 294.463 5 ↓

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

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