UCSF

ZINC71602949

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 25 No

Popular Name: 1-cyano-N'-(3,5-dichloro-2-hydroxy-anilino)-N-[(Z)-(3,5-dichloro-6-oxo-cyclohexa-2,4-dien-1-ylidene) 1-cyano-N'-(3,5-dichloro-2-hydro…

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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) 4.40 6 -28.01 2 7 -1 112 418.047 4 ↓
Hi High (pH 8-9.5) 4.40 7 -80.39 1 7 -2 115 417.039 4 ↓
Hi High (pH 8-9.5) 4.40 6.76 -78.49 1 7 -2 115 417.039 4 ↓
Hi High (pH 8-9.5) 4.40 6.84 -79.03 1 7 -2 115 417.039 4 ↓
Hi High (pH 8-9.5) 4.40 6.92 -81.42 1 7 -2 115 417.039 4 ↓
Lo Low (pH 4.5-6) 4.40 6.3 -13.52 3 7 0 110 419.055 4 ↓

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

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