UCSF

ZINC16734273

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

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

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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) 2.77 11 -74.16 1 10 0 129 483.521 11 ↓
Hi High (pH 8-9.5) 2.77 8.68 -55.53 0 10 -1 128 482.513 11 ↓
Mid Mid (pH 6-8) 3.21 9.85 -69.5 2 10 1 126 484.529 10 ↓
Mid Mid (pH 6-8) 2.18 10.82 -76.12 1 10 1 123 484.529 11 ↓

Activity (Go SEA)

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