UCSF

ZINC62038758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 No

Popular Name: isobutyl isobutyl

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.46 6.48 -20.58 3 9 0 138 489.575 9 ↓
Hi High (pH 8-9.5) 4.91 6.01 -86.09 1 9 -2 144 487.559 9 ↓
Mid Mid (pH 6-8) 4.91 5.25 -42.23 2 9 -1 142 488.567 9 ↓

Activity (Go SEA)

Rings

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

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