UCSF

ZINC20898799

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 No

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) 1.88 5.94 -11.57 2 6 0 84 317.37 3 ↓
Mid Mid (pH 6-8) 2.06 3.46 -10.94 2 6 0 88 317.37 3 ↓
Mid Mid (pH 6-8) 1.88 5.87 -12.57 2 6 0 84 317.37 3 ↓
Mid Mid (pH 6-8) 2.06 3.41 -12.86 2 6 0 88 317.37 3 ↓

Activity (Go SEA)

Rings

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