UCSF

ZINC40336493

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 32 No

Popular Name: (4S)-5-(3-imidazol-1-ylpropyl)-4-(4-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-(3-imidazol-1-ylpropyl)-4…

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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) 2.92 13.78 -46.54 2 9 1 114 429.46 7 ↓
Mid Mid (pH 6-8) 2.92 13.26 -24.75 1 9 0 113 428.452 7 ↓

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

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