UCSF

ZINC22883079

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 No

Popular Name: (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-2-(3-pyridylmethylene)benzofuran-3-one (2Z)-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 7.28 -28.09 1 6 0 74 379.46 4 ↓
Hi High (pH 8-9.5) 2.34 4.95 -42.14 0 6 -1 73 378.452 4 ↓
Mid Mid (pH 6-8) 2.34 7.33 -53.63 1 6 0 74 379.46 4 ↓
Mid Mid (pH 6-8) 2.34 6.53 -45.05 2 6 1 71 380.468 4 ↓
Mid Mid (pH 6-8) 2.34 4.15 -12.27 1 6 0 70 379.46 4 ↓
Lo Low (pH 4.5-6) 2.34 6.48 -44.99 2 6 1 71 380.468 4 ↓

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