UCSF

ZINC65528251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 28 No

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

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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) 2.80 5.23 -32.57 3 6 1 70 371.468 5 ↓
Hi High (pH 8-9.5) 2.80 5.38 -14.95 2 6 0 69 370.46 5 ↓
Mid Mid (pH 6-8) 2.80 7.64 -111.96 4 6 2 71 372.476 5 ↓
Lo Low (pH 4.5-6) 2.80 6.36 -110.95 4 6 2 74 372.476 5 ↓

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

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