UCSF

ZINC16247280

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 35 No

Popular Name: (5S)-3-hydroxy-4-(4-methylbenzoyl)-1-(3-morpholinopropyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one (5S)-3-hydroxy-4-(4-methylbenzoy…

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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) 3.91 9.54 -60.15 0 7 -1 82 477.581 10 ↓
Mid Mid (pH 6-8) 4.35 10.8 -61.08 2 7 1 81 479.597 9 ↓
Mid Mid (pH 6-8) 3.33 11.76 -65.41 1 7 1 77 479.597 10 ↓
Mid Mid (pH 6-8) 3.91 11.87 -78.22 1 7 0 83 478.589 10 ↓

Activity (Go SEA)

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