UCSF

ZINC49538794

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 Yes

Popular Name: (1S)-N-[[(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-1-(2,4-dimethylthiazol-5-yl)ethanamine (1S)-N-[[(2S)-3,4-dihydro-2H-1,4…

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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) 2.50 5.5 -45.01 3 4 1 51 304.439 4 ↓
Mid Mid (pH 6-8) 2.50 4.3 -8.46 2 4 0 46 303.431 4 ↓

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

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