UCSF

ZINC09244241

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 No

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

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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) 3.29 10.62 -75.94 1 8 0 93 482.577 11 ↓
Mid Mid (pH 6-8) 3.74 2.25 -46.42 2 8 1 89 483.585 10 ↓
Mid Mid (pH 6-8) 2.71 1.76 -44.72 1 8 1 86 483.585 11 ↓

Activity (Go SEA)

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