UCSF

ZINC20230425

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-(2-methoxyphenyl)-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-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) 2.45 8.75 -75.8 1 7 0 83 410.47 8 ↓
Hi High (pH 8-9.5) 2.45 6.2 -62.24 0 7 -1 82 409.462 8 ↓
Lo Low (pH 4.5-6) 2.45 7.92 -53.03 2 7 1 81 411.478 8 ↓

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