UCSF

ZINC09360233

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-p 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 3.20 9.61 -82.03 2 8 0 104 482.577 11 ↓
Mid Mid (pH 6-8) 3.64 9.46 -53.48 3 8 1 101 483.585 10 ↓
Mid Mid (pH 6-8) 2.61 0.04 -50.39 2 8 1 97 483.585 11 ↓

Activity (Go SEA)

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