UCSF

ZINC18249834

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 15 No

Popular Name: 5-(methoxymethyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 5-(methoxymethyl)-2-phenyl-2,4-d…

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CAS Numbers: , 442671-21-8

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) 1.39 4.32 -12.8 0 4 0 42 204.229 3 ↓
Mid Mid (pH 6-8) 1.76 2.15 -7.58 1 4 0 47 204.229 3 ↓

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