UCSF

ZINC08837983

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 35 No

Popular Name: 5-(3,4-dimethoxyphenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(hydroxy-phenyl-methylene)-pyrrolidine-2,3-d 5-(3,4-dimethoxyphenyl)-1-(6-flu…

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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) 4.42 10.99 -59.86 0 7 -1 92 489.504 6 ↓
Mid Mid (pH 6-8) 3.84 0.24 -14.46 0 7 0 85 490.512 6 ↓
Lo Low (pH 4.5-6) 4.42 10.16 -18.61 1 7 0 89 490.512 6 ↓

Activity (Go SEA)

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