UCSF

ZINC17784078

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 24 Yes

Popular Name: (4Z)-4-[4-(3,4-dimethoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien- (4Z)-4-[4-(3,4-dimethoxyphenyl)-…

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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) 2.81 2.29 -12.27 3 6 0 88 326.352 4 ↓
Hi High (pH 8-9.5) 2.81 2.99 -54.91 2 6 -1 90 325.344 4 ↓
Hi High (pH 8-9.5) 2.81 3.11 -46.44 2 6 -1 90 325.344 4 ↓
Mid Mid (pH 6-8) 2.81 2.35 -11.26 3 6 0 88 326.352 4 ↓

Activity (Go SEA)

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