UCSF

ZINC59416455

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 28 No

Popular Name: 2-[(Z)-N-allyloxy-C-ethyl-carbonimidoyl]-5-(4,6-dimethyl-3-oxo-indan-5-yl)cyclohexane-1,3-dione 2-[(Z)-N-allyloxy-C-ethyl-carbon…

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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) 3.54 10.91 -49.15 0 5 -1 79 380.464 6 ↓
Lo Low (pH 4.5-6) 3.54 9.39 -15.84 1 5 0 76 381.472 6 ↓

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

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