UCSF

ZINC05720134

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 15 No

Popular Name: 1,3-Benzenedicarboxaldehyde, 4-hydroxy-5-methoxy-, dioxime; 4- Dioxime; 4-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehyde dioxime; BRN 3314753; Dioxime du dialdehyde vanillique [French]; Isophthaladehyde, 4-hydroxy-5-methoxy-, dioxime; LS-29712; Vanillic di 1,3-Benzenedicarboxaldehyde, 4-h…

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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) 2.27 -2.23 -10.95 3 6 0 95 210.189 3 ↓
Ref Reference (pH 7) 2.27 -2.38 -10.22 3 6 0 95 210.189 3 ↓
Mid Mid (pH 6-8) 1.05 0.54 -43.15 2 6 -1 94 209.181 3 ↓

Activity (Go SEA)

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