UCSF

ZINC20590598

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 No

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(2-methoxyphenyl)methylene]-4-methyl- (2Z)-6-hydroxy-7-[[4-(2-hydroxye…

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Download: MOL2 SDF SMILES Flexibase

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) 2.58 4.61 -55.02 3 7 1 88 425.505 6 ↓
Mid Mid (pH 6-8) 2.58 5.23 -30.79 2 7 0 90 424.497 6 ↓
Mid Mid (pH 6-8) 2.58 2.92 -47.87 1 7 -1 89 423.489 6 ↓

Activity (Go SEA)

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