UCSF

ZINC16736608

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 No

Popular Name: (5S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-5H (5S)-1-(4,6-dimethyl-1,3-benzoth…

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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) 4.18 11.44 -55.67 0 7 -1 95 470.53 5 ↓
Mid Mid (pH 6-8) 4.62 9.54 -31.78 1 7 0 93 471.538 4 ↓
Mid Mid (pH 6-8) 3.59 10.51 -21.84 0 7 0 89 471.538 5 ↓

Activity (Go SEA)

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