UCSF

ZINC20150014

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-on (5S)-5-(3,4-dimethoxyphenyl)-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) 2.36 9.14 -84.36 1 8 0 93 454.523 10 ↓
Lo Low (pH 4.5-6) 2.36 8.32 -60.9 2 8 1 90 455.531 10 ↓

Activity (Go SEA)

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