UCSF

ZINC71589781

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 28 Yes

Popular Name: methyl methyl

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) 0.59 7.38 -13.08 2 8 0 102 383.452 6 ↓
Mid Mid (pH 6-8) 0.59 7.67 -38.22 3 8 1 103 384.46 6 ↓
Mid Mid (pH 6-8) 0.59 7.69 -46.04 3 8 1 103 384.46 6 ↓
Lo Low (pH 4.5-6) 0.59 7.98 -98.45 4 8 2 105 385.468 6 ↓

Activity (Go SEA)

Rings

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

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