UCSF

ZINC55090099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 20 No

Popular Name: N-[[(5R)-3-ethyl-4,5-dihydroisoxazol-5-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine N-[[(5R)-3-ethyl-4,5-dihydroisox…

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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) 2.63 5.3 -11.38 1 5 0 59 294.424 8 ↓
Mid Mid (pH 6-8) 2.63 6.65 -53.22 2 5 1 64 295.432 8 ↓

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

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