UCSF

ZINC67982980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 26 Yes

Popular Name: 4-anilino-3-(4-methoxybenzyl)-2-methyl-4-oxobutanoic acid 4-anilino-3-(4-methoxybenzyl)-2-…

Find On: PubMed — Wikipedia — Google

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) 2.12 4.81 -45.75 4 6 1 74 354.478 4 ↓
Lo Low (pH 4.5-6) 2.12 7.09 -188.91 6 6 3 80 356.494 4 ↓
Lo Low (pH 4.5-6) 2.12 4.65 -98.55 5 6 2 79 355.486 4 ↓
Lo Low (pH 4.5-6) 2.12 5.64 -90.82 5 6 2 75 355.486 4 ↓

Activity (Go SEA)

Rings

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

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