UCSF

ZINC20572759

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 27 No

Popular Name: 7-[(4-ethyl-1-piperazinyl)methyl]-2-(2-furylmethylene)-6-hydroxy-4-methyl-1-benzofuran-3(2H)-one 7-[(4-ethyl-1-piperazinyl)methyl…

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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) 2.83 7.95 -27.44 1 6 0 74 368.433 4 ↓
Hi High (pH 8-9.5) 2.83 5.63 -46.84 0 6 -1 73 367.425 4 ↓
Mid Mid (pH 6-8) 2.83 7.16 -43.25 2 6 1 71 369.441 4 ↓
Mid Mid (pH 6-8) 2.83 7.94 -54.82 1 6 0 74 368.433 4 ↓
Mid Mid (pH 6-8) 2.83 4.85 -14.32 1 6 0 70 368.433 4 ↓
Lo Low (pH 4.5-6) 2.83 7.17 -40.78 2 6 1 71 369.441 4 ↓

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