UCSF

ZINC65535810

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 17 Yes

Popular Name: 2-(1,3-benzothiazol-2-yl)-4-[(cycloheptylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one 2-(1,3-benzothiazol-2-yl)-4-[(cy…

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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) 1.54 5.37 -40.08 3 4 1 66 225.275 1 ↓
Hi High (pH 8-9.5) 1.54 4.91 -9.21 2 4 0 65 224.267 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.