UCSF

ZINC09436269

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 5-(2,5-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-pyrrolid 5-(2,5-dimethoxyphenyl)-1-(3-dim…

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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) 3.90 11.23 -79.38 1 8 0 93 496.604 12 ↓
Mid Mid (pH 6-8) 4.35 10.97 -51.23 2 8 1 90 497.612 11 ↓
Mid Mid (pH 6-8) 3.32 10.6 -49.48 1 8 1 87 497.612 12 ↓

Activity (Go SEA)

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