UCSF

ZINC55108880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 Yes

Popular Name: 1,5-dimethyl-4-[[[(1S)-1-methylpropyl]-(p-tolylmethyl)amino]methyl]-2-phenyl-pyrazol-3-one 1,5-dimethyl-4-[[[(1S)-1-methylp…

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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) 4.18 11.33 -14.17 0 4 0 30 377.532 7 ↓
Mid Mid (pH 6-8) 4.18 13.25 -40.51 1 4 1 31 378.54 7 ↓

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

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