UCSF

ZINC67541034

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 23 Yes

Popular Name: 4-[(5-chloro-3-ethyl-1-methyl-pyrazol-4-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane 4-[(5-chloro-3-ethyl-1-methyl-py…

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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) 2.10 6.08 -39.29 1 5 1 29 340.923 3 ↓
Mid Mid (pH 6-8) 2.10 7.95 -98.24 2 5 2 30 341.931 3 ↓
Mid Mid (pH 6-8) 2.10 7.96 -102.96 2 5 2 30 341.931 3 ↓
Mid Mid (pH 6-8) 2.10 5.54 -35.95 1 5 1 29 340.923 3 ↓

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Rings

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

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