UCSF

ZINC13544252

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

Popular Name: N-[1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)ethylideneamino]benzamide N-[1-(2-hydroxy-4,4-dimethyl-6-o…

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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) 2.27 6.78 -51.05 1 5 -1 82 299.35 3 ↓
Ref Reference (pH 7) 1.73 7.17 -15.66 2 5 0 75 300.358 3 ↓
Lo Low (pH 4.5-6) 2.27 5.17 -19.49 2 5 0 79 300.358 3 ↓
Lo Low (pH 4.5-6) 2.27 5.07 -18.39 2 5 0 79 300.358 3 ↓

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Rings

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