UCSF

ZINC22935532

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 No

Popular Name: (2E)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(1-methylindol-3-yl)methylene]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) 3.42 9.23 -40.78 2 6 1 63 418.517 4 ↓
Hi High (pH 8-9.5) 3.42 7.72 -45.1 0 6 -1 65 416.501 4 ↓
Mid Mid (pH 6-8) 3.42 9.22 -42.4 2 6 1 63 418.517 4 ↓
Mid Mid (pH 6-8) 3.42 6.96 -9.71 1 6 0 62 417.509 4 ↓
Mid Mid (pH 6-8) 3.42 9.98 -28.59 1 6 0 66 417.509 4 ↓

Activity (Go SEA)

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