UCSF

ZINC43769557

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 28 No

Popular Name: (2R,4E)-4-[(2Z)-2-[(2S)-2-carboxy-5,6-dihydroxy-indolin-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-p (2R,4E)-4-[(2Z)-2-[(2S)-2-carbox…

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Vendors

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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) -5.04 4.73 -116.79 3 10 -2 176 386.316 4 ↓
Hi High (pH 8-9.5) -5.04 5.66 -177.49 2 10 -3 179 385.308 4 ↓
Hi High (pH 8-9.5) -5.04 6.34 -105.77 3 10 -2 183 386.316 4 ↓
Lo Low (pH 4.5-6) -5.04 2.75 -60.76 4 10 -1 173 387.324 4 ↓

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