UCSF

ZINC16265861

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 34 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-5-(3-ethoxy-4-hydroxy-phenyl)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydrox (5R)-1-(3-dimethylaminopropyl)-5…

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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) 2.54 7.65 -76.87 2 8 0 104 472.513 10 ↓
Mid Mid (pH 6-8) 2.99 6.56 -60.76 3 8 1 101 473.521 9 ↓
Mid Mid (pH 6-8) 1.96 7.58 -59.82 2 8 1 98 473.521 10 ↓

Activity (Go SEA)

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