UCSF

ZINC16805584

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 34 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-5-(4-pyridyl)-5H-pyrrol-2- (5S)-1-(3-diethylaminopropyl)-3-…

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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) 3.31 11.66 -76.82 1 7 0 87 465.594 11 ↓
Mid Mid (pH 6-8) 3.76 10.58 -61.37 2 7 1 84 466.602 10 ↓
Mid Mid (pH 6-8) 2.73 11.57 -65.2 1 7 1 81 466.602 11 ↓
Lo Low (pH 4.5-6) 3.76 10.86 -118.46 3 7 2 85 467.61 10 ↓
Lo Low (pH 4.5-6) 2.73 11.85 -119.11 2 7 2 82 467.61 11 ↓

Activity (Go SEA)

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