UCSF

ZINC19882655

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2-one (5R)-1-(3-dimethylaminopropyl)-4…

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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) 2.78 11 -69.09 1 8 0 111 427.432 8 ↓
Lo Low (pH 4.5-6) 2.78 10.18 -54.53 2 8 1 108 428.44 8 ↓

Activity (Go SEA)

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