UCSF

ZINC53524030

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 28 Yes

Popular Name: N-[2-[(2R)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-methyl-3H-benzimidazole-5-carb N-[2-[(2R)-2,7-dimethyl-3,5-dihy…

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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) 2.77 8.56 -54.99 3 6 1 71 379.484 4 ↓
Hi High (pH 8-9.5) 2.77 6.48 -18.98 2 6 0 70 378.476 4 ↓
Lo Low (pH 4.5-6) 2.77 9 -89.85 4 6 2 73 380.492 4 ↓

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

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