UCSF

ZINC09334418

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 34 No

Popular Name: 4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-pyrrolidin 4-[(2,4-dimethylthiazol-5-yl)-hy…

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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) 1.57 6.88 -53.75 0 10 -1 132 485.542 8 ↓
Mid Mid (pH 6-8) 2.01 8.91 -49.34 2 10 1 130 487.558 7 ↓
Mid Mid (pH 6-8) 0.98 -1.54 -57.09 1 10 1 126 487.558 8 ↓
Mid Mid (pH 6-8) 1.57 9.22 -73.67 1 10 0 133 486.55 8 ↓

Activity (Go SEA)

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