UCSF

ZINC12222800

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 22 Yes

Popular Name: methyl methyl

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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) 1.98 1.5 -9.54 0 5 0 57 295.342 5 ↓
Lo Low (pH 4.5-6) 1.98 1.57 -41.02 1 5 1 58 296.35 5 ↓
Lo Low (pH 4.5-6) 1.98 1.63 -36.92 1 5 1 58 296.35 5 ↓
Lo Low (pH 4.5-6) 1.98 1.7 -82.33 2 5 2 60 297.358 5 ↓

Activity (Go SEA)

Rings

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

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