UCSF

ZINC69232454

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 1.47 6.12 -33.48 2 5 1 46 296.435 6 ↓
Hi High (pH 8-9.5) 1.47 4.56 -4.33 1 5 0 45 295.427 6 ↓
Mid Mid (pH 6-8) 1.47 7.59 -92.2 3 5 2 51 297.443 6 ↓
Lo Low (pH 4.5-6) 1.47 8.15 -103.24 3 5 2 47 297.443 6 ↓

Activity (Go SEA)

Rings

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

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