UCSF

ZINC63013724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: 1-[1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(3,5-dihydro-2H-1,4-benz…

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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) 0.95 5.78 -100.33 3 6 2 61 289.383 5 ↓
Mid Mid (pH 6-8) 0.95 3.7 -46.12 2 6 1 60 288.375 5 ↓

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

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