UCSF

ZINC20219597

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (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) 1.55 8.58 -69.05 1 6 0 78 383.423 7 ↓
Lo Low (pH 4.5-6) 1.55 7.76 -48.85 2 6 1 75 384.431 7 ↓

Activity (Go SEA)

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