UCSF

ZINC37857570

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 31 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methoxyphenyl)methylene]-4-methyl- (2E)-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) 2.60 4.46 -42.69 3 7 1 88 425.505 6 ↓
Hi High (pH 8-9.5) 2.60 2.76 -45.56 1 7 -1 89 423.489 6 ↓
Mid Mid (pH 6-8) 2.60 2.19 -10.48 2 7 0 86 424.497 6 ↓
Mid Mid (pH 6-8) 2.60 5.02 -30.35 2 7 0 90 424.497 6 ↓

Activity (Go SEA)

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