UCSF

ZINC19216331

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 31 No

Popular Name: (5S)-4-(4-fluorobenzoyl)-3-hydroxy-5-(5-methyl-2-furyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5S)-4-(4-fluorobenzoyl)-3-hydro…

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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) 2.17 6.44 -56.88 0 7 -1 86 427.452 7 ↓
Mid Mid (pH 6-8) 2.17 8.76 -77.57 1 7 0 87 428.46 7 ↓
Lo Low (pH 4.5-6) 2.17 7.94 -56.98 2 7 1 84 429.468 7 ↓
Lo Low (pH 4.5-6) 2.17 5.62 -15.77 1 7 0 83 428.46 7 ↓

Activity (Go SEA)

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