UCSF

ZINC09135689

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 38 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-tert-butylphenyl)-pyrr 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 6.74 15.72 -67.28 1 6 0 74 520.714 13 ↓
Hi High (pH 8-9.5) 6.74 13.52 -58.75 0 6 -1 73 519.706 13 ↓
Mid Mid (pH 6-8) 7.18 2.99 -42.82 2 6 1 71 521.722 12 ↓
Mid Mid (pH 6-8) 6.15 2.68 -43.81 1 6 1 68 521.722 13 ↓

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