UCSF

ZINC69132067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) 1.27 2.91 -5.64 2 5 0 65 268.357 5 ↓
Mid Mid (pH 6-8) 1.27 3.17 -43.42 3 5 1 66 269.365 5 ↓
Lo Low (pH 4.5-6) 1.27 5.08 -117.86 4 5 2 68 270.373 5 ↓
Lo Low (pH 4.5-6) 1.27 5.28 -32.33 3 5 1 66 269.365 5 ↓

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Rings

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

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