UCSF

ZINC69815459

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 31 No

Popular Name: (3Z)-3-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b] (3Z)-3-[(4-hydroxy-3-methoxy-5-n…

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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) 3.68 9.91 -22.44 1 8 0 110 433.342 4 ↓
Mid Mid (pH 6-8) 3.68 10.98 -62.99 0 8 -1 113 432.334 4 ↓

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

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