UCSF

ZINC04234694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: 5-m-Tolyl-2H-pyrazol-3-ylamine 5-m-Tolyl-2H-pyrazol-3-ylamine

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CAS Numbers: 1031792-90-1 , 80568-96-3 , [80568-96-3]

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) 2.02 4.03 -7.49 3 3 0 55 173.219 1 ↓
Mid Mid (pH 6-8) 2.02 4 -6.19 3 3 0 55 173.219 1 ↓
Lo Low (pH 4.5-6) 2.02 4.09 -31.83 4 3 1 56 174.227 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 86-89° Oakwood Chemical
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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