UCSF

ZINC65527088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Popular Name: 4-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-N-(2-ethyl-4-methyl-pyrazol-3-yl)benzamide 4-(1,4-diazabicyclo[3.2.2]nonan-…

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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) 2.24 8.21 -48.02 2 6 1 55 368.505 5 ↓
Hi High (pH 8-9.5) 2.24 5.58 -9.76 1 6 0 53 367.497 5 ↓
Lo Low (pH 4.5-6) 2.24 7.74 -48.22 2 6 1 55 368.505 5 ↓

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Rings

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

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