UCSF

ZINC62941920

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 Yes

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

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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) 1.34 7.05 -34.68 1 3 1 25 237.367 2 ↓
Hi High (pH 8-9.5) 1.34 5.48 -4.47 0 3 0 24 236.359 2 ↓
Lo Low (pH 4.5-6) 1.34 8.8 -110.07 2 3 2 26 238.375 2 ↓

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

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