UCSF

ZINC19958179

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-5-(4-ethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-5H-pyrrol-2-one (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) 2.37 8.73 -73.45 1 7 0 87 398.459 9 ↓
Lo Low (pH 4.5-6) 2.37 7.91 -47.42 2 7 1 84 399.467 9 ↓

Activity (Go SEA)

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