UCSF

ZINC34954818

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 No

Popular Name: (4E,5R)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-hydroxyph (4E,5R)-1-(6-chloro-1,3-benzothi…

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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) 5.61 11.23 -54.85 1 6 -1 94 489.96 4 ↓
Lo Low (pH 4.5-6) 5.61 10.34 -11.51 2 6 0 91 490.968 4 ↓

Activity (Go SEA)

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