UCSF

ZINC65527652

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 2-[3-[(4S,5R)-5-(2H-imidazol-2-yl)-4-phenyl-imidazolidin-1-yl]propyl]phenol 2-[3-[(4S,5R)-5-(2H-imidazol-2-y…

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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) 3.50 4.53 -35.43 4 5 1 65 349.458 6 ↓
Hi High (pH 8-9.5) 3.50 4.13 -8.34 3 5 0 64 348.45 6 ↓
Mid Mid (pH 6-8) 3.50 6.9 -110.62 5 5 2 67 350.466 6 ↓

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

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