UCSF

ZINC22358257

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 31 No

Popular Name: 8-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]-1,3,8-triazaspiro[4.5]decan 8-methyl-3-[[4-[5-(trifluorometh…

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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) 1.54 6.84 -53.05 2 8 1 73 441.478 4 ↓
Hi High (pH 8-9.5) 1.17 5.39 -45.3 1 8 0 80 440.47 4 ↓
Mid Mid (pH 6-8) 1.17 7.36 -54.59 2 8 1 81 441.478 4 ↓
Mid Mid (pH 6-8) 1.54 8.81 -99.5 3 8 2 74 442.486 4 ↓

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Rings

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

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