UCSF

ZINC65529644

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Popular Name: 2-[(4S,5S)-3-[[(1S)-isochroman-1-yl]methyl]-5-phenyl-imidazolidin-4-yl]-2H-imidazole 2-[(4S,5S)-3-[[(1S)-isochroman-1…

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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) 2.79 6.33 -30.78 3 5 1 54 361.469 4 ↓
Hi High (pH 8-9.5) 2.79 6.39 -5.41 2 5 0 53 360.461 4 ↓
Mid Mid (pH 6-8) 2.79 8.68 -109.02 4 5 2 56 362.477 4 ↓

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

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