UCSF

ZINC69843582

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyr 5-[(6-chloro-3,4-dihydro-2H-1,5-…

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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) 1.45 8.31 -34.65 1 5 1 41 334.827 2 ↓
Hi High (pH 8-9.5) 1.45 7.85 -13.74 0 5 0 40 333.819 2 ↓
Lo Low (pH 4.5-6) 1.45 10.53 -107.34 2 5 2 42 335.835 2 ↓

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

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