UCSF

ZINC19898829

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Substance Information

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

Popular Name: (5R)-1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one (5R)-1-(2-diethylaminoethyl)-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) 3.38 10.44 -70.58 1 6 0 74 426.488 9 ↓
Hi High (pH 8-9.5) 3.38 8.14 -54.07 0 6 -1 73 425.48 9 ↓
Lo Low (pH 4.5-6) 3.38 9.63 -53.68 2 6 1 71 427.496 9 ↓

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