UCSF

ZINC05735557

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 17 No

Popular Name: 1,4-Naphthalenedione, 6,7-dihydro-2,3,5,8-tetrahydroxy-6-methyl-; 6,7-Dihydro-2,3,5,8-tetrahydroxy-6-methyl-1,4-naphthalenedione; BRN 2653145; LS-94603 1,4-Naphthalenedione, 6,7-dihydr…

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Annotations

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) -1.09 4.21 -20.15 0 6 0 120 235.171 0 ↓
Hi High (pH 8-9.5) -1.68 5.07 -18.43 0 6 0 114 236.179 0 ↓
Hi High (pH 8-9.5) -1.68 5.07 -18.43 0 6 0 114 236.179 0 ↓
Mid Mid (pH 6-8) -3.00 5.63 -21.85 0 6 0 108 237.187 0 ↓
Mid Mid (pH 6-8) -3.00 3.69 -15.73 0 6 0 108 237.187 0 ↓
Mid Mid (pH 6-8) -3.00 3.68 -15.72 0 6 0 108 237.187 0 ↓
Mid Mid (pH 6-8) -3.00 3.68 -15.78 0 6 0 108 237.187 0 ↓

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