UCSF

ZINC67965831

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 2-[[1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl(methyl)amino]methyl]pyridine-3-carboxylic 2-[[1,4,5,6,7,8-hexahydrocyclohe…

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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) 2.18 7.86 -36.16 2 6 0 86 314.389 5 ↓
Mid Mid (pH 6-8) 2.18 6.02 -57.39 1 6 -1 85 313.381 5 ↓

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Rings

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

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