UCSF

ZINC54796268

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 Yes

Popular Name: (1R)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-y (1R)-N-[(4-methyl-1H-imidazol-5-…

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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) 0.72 6.94 -51.17 3 6 1 76 275.38 4 ↓
Hi High (pH 8-9.5) 0.72 5.68 -16.08 2 6 0 71 274.372 4 ↓
Lo Low (pH 4.5-6) 0.72 7.41 -108.81 4 6 2 77 276.388 4 ↓

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

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