UCSF

ZINC40547616

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 No

Popular Name: (4R)-5-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-c]p (4R)-5-[(3S)-1,1-dioxothiolan-3-…

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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) 3.18 5.74 -21.55 2 7 0 103 437.521 4 ↓
Mid Mid (pH 6-8) 3.18 6.51 -60.8 1 7 -1 106 436.513 4 ↓

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

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