UCSF

ZINC40336654

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 31 Yes

Popular Name: (4S)-4-(4-hydroxyphenyl)-5-(3-morpholinopropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-hydroxyphenyl)-5-(3-mo…

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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) 2.68 5.61 -13.08 2 7 0 82 418.497 6 ↓
Mid Mid (pH 6-8) 2.68 7.88 -44.71 3 7 1 83 419.505 6 ↓

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

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