UCSF

ZINC65535258

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(4-{4-nitrophenyl}-1-piperazinyl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one 2-(1,3-benzothiazol-2-yl)-4-[1-(…

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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) 1.03 5.6 -45.91 3 7 1 75 322.433 5 ↓
Lo Low (pH 4.5-6) 1.03 5.91 -89.28 4 7 2 76 323.441 5 ↓

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

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