UCSF

ZINC67956017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 21 Yes

Popular Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-1-[(5S)-2-methyl-2,9-diazaspiro[4.5]decan-9-yl]ethanone 2-(5-amino-3-methyl-pyrazol-1-yl…

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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) 0.20 6.11 -41.22 3 6 1 69 292.407 2 ↓
Mid Mid (pH 6-8) 0.20 6.23 -77.97 4 6 2 70 293.415 2 ↓

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

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