UCSF

ZINC24990042

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 31 Yes

Popular Name: 1-[[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-amino]methyl]-4-methyl-[1,2,4]triazo 1-[[[(2S)-4-ethyl-2,3-dihydro-1,…

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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) 2.75 10.43 -14.98 0 8 0 68 418.501 5 ↓
Mid Mid (pH 6-8) 2.75 12.77 -55.16 1 8 1 69 419.509 5 ↓

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

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