UCSF

ZINC31357296

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 22 No

Popular Name: 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-; 9,10-Dihydro-4,5,7-trihydroxy-9,10-dioxoanthroic acid; Anthroic acid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-; BRN 2668609; CCRIS 5311; Emodic acid; LS-20744 2-Anthracenecarboxylic acid, 9,1…

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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) 2.13 2.54 -61.07 3 7 -1 135 299.214 1 ↓
Hi High (pH 8-9.5) 2.13 3.32 -111.31 2 7 -2 138 298.206 1 ↓

Activity (Go SEA)

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