UCSF

ZINC37857523

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 28 No

Popular Name: (2E)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-2-(3-pyridylmethylene)benzofuran-3-one (2E)-7-[(4-ethylpiperazin-1-yl)m…

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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) 2.34 6.42 -40.92 2 6 1 71 380.468 4 ↓
Hi High (pH 8-9.5) 2.34 4.92 -42.04 0 6 -1 73 378.452 4 ↓
Mid Mid (pH 6-8) 2.34 6.42 -43.35 2 6 1 71 380.468 4 ↓
Mid Mid (pH 6-8) 2.34 4.14 -8.27 1 6 0 70 379.46 4 ↓

Activity (Go SEA)

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