UCSF

ZINC40344818

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Substance Information

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

Popular Name: (4S)-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-pyridylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4S)-4-(4-chlorophenyl)-3-(4-met…

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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) 3.85 9.78 -13 1 6 0 71 430.895 5 ↓
Lo Low (pH 4.5-6) 3.85 10.24 -40.57 2 6 1 72 431.903 5 ↓

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

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