UCSF

ZINC69900991

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 No

Popular Name: 2-[[3-(cyclopropylmethoxy)propylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione 2-[[3-(cyclopropylmethoxy)propyl…

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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) 2.16 6.73 -40.66 0 4 -1 62 278.372 7 ↓
Mid Mid (pH 6-8) 1.24 7.22 -10.43 1 4 0 55 279.38 7 ↓

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

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