UCSF

ZINC12222760

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 29 Yes

Popular Name: N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)-2-(2,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-3-yl)ace N-(2-dimethylaminoethyl)-N-(3-py…

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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) 1.99 3.15 -57.29 1 6 1 68 398.527 7 ↓
Lo Low (pH 4.5-6) 1.99 3.26 -105.18 2 6 2 69 399.535 7 ↓

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

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