UCSF

ZINC57279850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 25 Yes

Popular Name: (1S,6R)-6-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxyli (1S,6R)-6-[2-(4-ethyl-6-methyl-p…

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Download: MOL2 SDF SMILES Flexibase

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) 0.86 6.44 -48.45 1 8 -1 105 344.395 6 ↓
Lo Low (pH 4.5-6) 0.86 4.73 -14.88 2 8 0 102 345.403 6 ↓

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

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