UCSF

ZINC37857530

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 30 No

Popular Name: (2E)-2-[(4-fluorophenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-b (2E)-2-[(4-fluorophenyl)methylen…

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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) 2.73 5.22 -43.99 3 6 1 78 413.469 5 ↓
Hi High (pH 8-9.5) 2.73 3.51 -44.76 1 6 -1 80 411.453 5 ↓
Mid Mid (pH 6-8) 2.73 2.94 -10.17 2 6 0 77 412.461 5 ↓
Mid Mid (pH 6-8) 2.73 5.78 -30.98 2 6 0 81 412.461 5 ↓

Activity (Go SEA)

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