UCSF

ZINC41585983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.06 9.52 -44.33 2 9 1 107 488.52 7 ↓
Mid Mid (pH 6-8) 4.06 9.19 -17.09 1 9 0 105 487.512 7 ↓
Mid Mid (pH 6-8) 4.06 11.43 -57.71 2 9 1 107 488.52 7 ↓
Mid Mid (pH 6-8) 4.06 11.74 -117.47 3 9 2 108 489.528 7 ↓

Activity (Go SEA)

Rings

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

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