UCSF

ZINC18024400

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 26 No

Popular Name: 4-{[(6-chloro-1,3-benzodioxol-5-yl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-{[(6-chloro-1,3-benzodioxol-5-…

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Other Names:

MFCD01079863

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) 3.36 7.31 -20.43 0 6 0 58 369.808 3 ↓
Ref Reference (pH 7) 3.36 8.9 -17.52 0 6 0 58 369.808 3 ↓
Lo Low (pH 4.5-6) 3.36 8.74 -34.85 1 6 1 59 370.816 3 ↓
Lo Low (pH 4.5-6) 3.36 7.73 -39.16 1 6 1 59 370.816 3 ↓

Activity (Go SEA)

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

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