UCSF

ZINC26532726

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 33 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-5-(3-ethoxy-4-hydroxy-phenyl)-4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy (5S)-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) 2.93 8.95 -77.62 2 7 0 94 456.514 9 ↓
Lo Low (pH 4.5-6) 2.93 8.12 -55.45 3 7 1 92 457.522 9 ↓

Activity (Go SEA)

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