UCSF

ZINC62941356

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 14 Yes

Popular Name: (2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]propan-2-ol (2S)-1-[(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) 0.63 3.41 -32.23 2 3 1 28 199.318 2 ↓
Mid Mid (pH 6-8) 0.63 2.96 -29.23 2 3 1 28 199.318 2 ↓
Mid Mid (pH 6-8) 0.63 4.93 -96.65 3 3 2 29 200.326 2 ↓

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