UCSF

ZINC41588015

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

Popular Name: (7Z)-9-methyl-7-(4-pyridylmethylene)-3-[2-(2-thienyl)ethyl]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-9-methyl-7-(4-pyridylmethyl…

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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) 3.64 8.48 -9.62 0 5 0 56 404.491 4 ↓
Lo Low (pH 4.5-6) 3.64 11.36 -53.89 1 5 1 57 405.499 4 ↓
Lo Low (pH 4.5-6) 3.64 11.84 -92.66 2 5 2 58 406.507 4 ↓

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

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