UCSF

ZINC13617591

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 35 No

Popular Name: (5S)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-5H-pyrrol-2-on (5S)-3-hydroxy-4-(4-methoxy-3-me…

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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) 2.65 7.75 -56.26 0 10 -1 128 480.497 8 ↓
Mid Mid (pH 6-8) 3.09 9.03 -72.17 2 10 1 126 482.513 7 ↓
Mid Mid (pH 6-8) 2.06 10.03 -77.44 1 10 1 123 482.513 8 ↓
Mid Mid (pH 6-8) 2.65 10.09 -78.43 1 10 0 129 481.505 8 ↓

Activity (Go SEA)

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