UCSF

ZINC15937386

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 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) 3.03 10.42 -33.74 2 7 1 68 413.542 9 ↓
Mid Mid (pH 6-8) 3.03 12.7 -108.32 3 7 2 69 414.55 9 ↓
Mid Mid (pH 6-8) 3.03 8.51 -8.78 1 7 0 66 412.534 8 ↓
Lo Low (pH 4.5-6) 3.03 10.76 -40.58 2 7 1 68 413.542 8 ↓

Activity (Go SEA)

Rings

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

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