UCSF

ZINC06187877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 16 No

Popular Name: 5-methyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one 5-methyl-4-(4-toluidinomethylene…

Find On: PubMed — Wikipedia — Google

CAS Number: 339020-92-7

Other Names:

MFCD00138318

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) 1.84 4.07 -12.66 2 4 0 58 215.256 2 ↓
Hi High (pH 8-9.5) 2.29 2.31 -61.26 1 4 -1 61 214.248 2 ↓
Hi High (pH 8-9.5) 2.29 2.41 -60.78 1 4 -1 61 214.248 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 210 - 211 KeyOrganics

Activity (Go SEA)

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