UCSF

ZINC20135330

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-pyridyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-3-…

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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) 1.62 8.98 -68.81 1 7 0 91 397.475 9 ↓
Lo Low (pH 4.5-6) 1.62 8.16 -44.48 2 7 1 88 398.483 9 ↓
Lo Low (pH 4.5-6) 1.62 8.59 -105.9 3 7 2 89 399.491 9 ↓
Lo Low (pH 4.5-6) 1.62 9.41 -110.62 2 7 1 92 398.483 9 ↓

Activity (Go SEA)

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