UCSF

ZINC09354280

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 37 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(3-ethoxy-4-hydroxy-phe 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) 4.26 10.92 -74.2 2 8 0 104 510.631 13 ↓
Mid Mid (pH 6-8) 4.26 11.16 -46.35 3 8 1 101 511.639 13 ↓
Mid Mid (pH 6-8) 3.68 0.27 -48.6 2 8 1 97 511.639 13 ↓

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