UCSF

ZINC63938127

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 31 No

Popular Name: (3S,4R,5R)-5-(2H-benzimidazol-2-ylsulfanylmethyl)-2-(2,4-dimethylphenyl)-4-phenyl-pyrazolidin-3-amin (3S,4R,5R)-5-(2H-benzimidazol-2-…

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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) 5.89 9.69 -191.07 6 5 3 71 432.617 5 ↓
Hi High (pH 8-9.5) 5.89 9.63 -104.14 5 5 2 69 431.609 5 ↓

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

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