UCSF

ZINC13687521

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one (5S)-4-(2,4-dimethoxybenzoyl)-1-…

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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) 1.43 8.8 -83.63 1 8 0 96 425.485 9 ↓
Mid Mid (pH 6-8) 1.88 7.43 -63.63 2 8 1 93 426.493 8 ↓
Mid Mid (pH 6-8) 0.85 8.61 -69.45 1 8 1 90 426.493 9 ↓
Lo Low (pH 4.5-6) 1.88 7.71 -117.41 3 8 2 95 427.501 8 ↓
Lo Low (pH 4.5-6) 0.85 8.89 -120.71 2 8 2 91 427.501 9 ↓

Activity (Go SEA)

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