UCSF

ZINC49553025

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 Yes

Popular Name: (4E)-4-[(2S)-2-amino-5-oxo-imidazolidin-4-ylidene]-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepi (4E)-4-[(2S)-2-amino-5-oxo-imida…

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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) 0.26 -4.18 -11.75 5 7 0 112 405.05 1 ↓
Hi High (pH 8-9.5) 0.26 -4.63 -16.4 4 7 0 111 404.042 1 ↓
Hi High (pH 8-9.5) 0.45 -6.8 -12.17 4 7 0 119 404.042 1 ↓
Lo Low (pH 4.5-6) 0.26 -3.91 -34.08 6 7 0 114 406.058 1 ↓

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

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