UCSF

ZINC05175548

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 31 No

Popular Name: 2-[(4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}-2-hydroxyanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione 2-[(4-{[(4,4-dimethyl-2,6-dioxoc…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01242348

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) 3.23 7.65 -99.7 1 7 -2 125 422.481 4 ↓
Hi High (pH 8-9.5) 3.23 8.38 -216.26 0 7 -3 128 421.473 4 ↓
Lo Low (pH 4.5-6) 2.31 7.81 -43.21 2 7 -1 119 423.489 4 ↓
Lo Low (pH 4.5-6) 3.23 6.11 -56.87 2 7 -1 122 423.489 4 ↓
Lo Low (pH 4.5-6) 3.23 6.12 -54.99 2 7 -1 122 423.489 4 ↓

Activity (Go SEA)

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