UCSF

ZINC08905268

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 35 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-ethylphenyl)-pyrroli 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) 5.46 14.57 -79.89 1 6 0 74 478.633 12 ↓
Mid Mid (pH 6-8) 4.88 14.88 -44.85 1 6 1 68 479.641 12 ↓
Mid Mid (pH 6-8) 5.91 14.89 -47.62 2 6 1 71 479.641 11 ↓

Activity (Go SEA)

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