UCSF

ZINC52816764

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 29 Yes

Popular Name: 4-[[[2-(diethylaminomethyl)phenyl]methylamino]methyl]-6-ethyl-7-hydroxy-chromen-2-one 4-[[[2-(diethylaminomethyl)pheny…

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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) 4.21 11.41 -144.09 4 5 2 71 396.531 9 ↓
Mid Mid (pH 6-8) 4.21 10.16 -52.31 3 5 1 67 395.523 9 ↓

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

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