UCSF

ZINC06493050

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 16 No

Popular Name: 3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE 3-TERT-BUTYL-1-PHENYL-2-PYRAZOLI…

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CAS Number: 6631-89-6

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) 3.11 7.1 -9.31 0 3 0 33 216.284 2 ↓
Mid Mid (pH 6-8) 3.51 4.9 -7.17 1 3 0 38 216.284 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 108-113? Alfa-Aesar
Melting_Point 108-113° Alfa-Aesar

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