UCSF

ZINC23907705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 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) 1.85 5.66 -86.67 2 9 1 114 469.59 6 ↓
Mid Mid (pH 6-8) 2.31 5.45 -51.73 1 9 0 117 468.582 6 ↓
Mid Mid (pH 6-8) 1.85 4.2 -19.96 1 9 0 113 468.582 6 ↓
Lo Low (pH 4.5-6) 1.85 6.39 -69.77 2 9 1 114 469.59 6 ↓

Activity (Go SEA)

Rings

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