UCSF

ZINC55107602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 4-[[isobutyl(2-pyridylmethyl)amino]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[[isobutyl(2-pyridylmethyl)ami…

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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) 2.48 9.58 -21.86 0 5 0 43 364.493 7 ↓
Mid Mid (pH 6-8) 2.48 9.74 -37.82 1 5 1 44 365.501 7 ↓
Lo Low (pH 4.5-6) 2.48 12.01 -35.61 1 5 1 44 365.501 7 ↓

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

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