UCSF

ZINC62942371

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 Yes

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

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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) 1.07 6.36 -78.96 3 4 2 34 283.46 5 ↓
Hi High (pH 8-9.5) 1.07 4.79 -34.03 2 4 1 32 282.452 5 ↓
Lo Low (pH 4.5-6) 1.07 8.35 -176.33 4 4 3 35 284.468 5 ↓

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

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