UCSF

ZINC12222490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 21 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) 1.68 1.85 -11.86 0 5 0 57 281.315 5 ↓
Lo Low (pH 4.5-6) 1.68 1.97 -35.06 1 5 1 58 282.323 5 ↓
Lo Low (pH 4.5-6) 1.68 1.95 -35.86 1 5 1 58 282.323 5 ↓
Lo Low (pH 4.5-6) 1.68 2.08 -82.51 2 5 2 60 283.331 5 ↓

Activity (Go SEA)

Rings

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

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