UCSF

ZINC40547534

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 32 No

Popular Name: (4S)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxyphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-c]p (4S)-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) 2.20 5.27 -24.85 2 10 0 149 454.464 4 ↓
Mid Mid (pH 6-8) 2.20 6.04 -60.49 1 10 -1 152 453.456 4 ↓

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

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