UCSF

ZINC16806200

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 35 No

Popular Name: (5S)-4-benzoyl-1-(3-diethylaminopropyl)-3-hydroxy-5-(3-pentoxyphenyl)-5H-pyrrol-2-one (5S)-4-benzoyl-1-(3-diethylamino…

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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) 5.41 14.74 -73.9 1 6 0 74 478.633 14 ↓
Mid Mid (pH 6-8) 5.85 13.61 -54.68 2 6 1 71 479.641 13 ↓
Mid Mid (pH 6-8) 4.82 14.62 -55.69 1 6 1 68 479.641 14 ↓

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