UCSF

ZINC13552407

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5R)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl) (4E,5R)-4-[(4-chlorophenyl)-hydr…

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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) 6.23 12.82 -53.35 0 6 -1 83 503.987 6 ↓
Mid Mid (pH 6-8) 6.68 12.25 -17.25 1 6 0 80 504.995 5 ↓
Mid Mid (pH 6-8) 5.65 13.11 -11.4 0 6 0 77 504.995 6 ↓

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