UCSF

ZINC62940882

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 Yes

Popular Name: (9aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[[(2S)-pyrrolidin-2-yl]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) 1.07 5.55 -86.46 3 3 2 24 225.38 2 ↓
Hi High (pH 8-9.5) 1.07 3.99 -33.14 2 3 1 23 224.372 2 ↓

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

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