UCSF

ZINC65497043

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: 4-[[(6-chloro-3-pyridyl)methyl-methyl-amino]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[[(6-chloro-3-pyridyl)methyl-m…

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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) 2.31 7.49 -21.42 0 5 0 43 356.857 5 ↓
Lo Low (pH 4.5-6) 2.31 9.82 -53.71 1 5 1 44 357.865 5 ↓

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

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