UCSF

ZINC09422122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 Yes

Popular Name: 2-[6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-2-oxo-chromen-3-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]ace 2-[6-chloro-4-methyl-7-(2-methyl…

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Download: MOL2 SDF SMILES Flexibase

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) 4.31 3.13 -18.32 0 6 0 72 440.927 8 ↓
Lo Low (pH 4.5-6) 4.31 3.26 -46.18 1 6 1 73 441.935 8 ↓

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Rings

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

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