UCSF

ZINC69145782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 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) 1.78 4.1 -5.1 2 5 0 65 282.384 5 ↓
Mid Mid (pH 6-8) 1.78 3.97 -43.58 3 5 1 66 283.392 5 ↓
Lo Low (pH 4.5-6) 1.78 5.78 -118.73 4 5 2 68 284.4 5 ↓
Lo Low (pH 4.5-6) 1.78 5.98 -32.06 3 5 1 66 283.392 5 ↓

Activity (Go SEA)

Rings

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

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