UCSF

ZINC69563888

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 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 6.15 -13.63 0 6 0 56 303.362 4 ↓
Mid Mid (pH 6-8) 1.78 6.31 -33.73 1 6 1 57 304.37 4 ↓
Mid Mid (pH 6-8) 1.78 8.28 -40.25 1 6 1 57 304.37 4 ↓
Lo Low (pH 4.5-6) 1.78 8.4 -101.52 2 6 2 59 305.378 4 ↓

Activity (Go SEA)

Rings

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

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