UCSF

ZINC09333976

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 No

Popular Name: 5-(3,4-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-propoxyphenyl)-methylene]-pyrrolidin 5-(3,4-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) 3.26 10.88 -80.66 1 8 0 93 482.577 12 ↓
Mid Mid (pH 6-8) 3.71 10.83 -52.09 2 8 1 90 483.585 11 ↓
Mid Mid (pH 6-8) 2.68 1.66 -49.7 1 8 1 86 483.585 12 ↓

Activity (Go SEA)

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