UCSF

ZINC20647490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 32 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(1-methylindol-3-yl)methylene]benzofu (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) 2.41 6.27 -52.76 3 7 1 83 434.516 5 ↓
Mid Mid (pH 6-8) 2.41 6.89 -30.56 2 7 0 86 433.508 5 ↓
Mid Mid (pH 6-8) 2.41 3.94 -15.91 2 7 0 82 433.508 5 ↓
Mid Mid (pH 6-8) 2.41 4.57 -48.58 1 7 -1 85 432.5 5 ↓

Activity (Go SEA)

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