UCSF

ZINC40337766

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 33 Yes

Popular Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4S)-4-(3-ethoxy-4-hydroxy-pheny…

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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) 2.60 6.13 -14.15 2 8 0 91 448.523 7 ↓
Lo Low (pH 4.5-6) 2.60 8.41 -53.86 3 8 1 92 449.531 7 ↓

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

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