UCSF

ZINC62596562

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 1.21 4.81 -50.2 3 6 1 89 284.361 8 ↓
Hi High (pH 8-9.5) 1.66 1.78 -48.09 1 6 -1 87 282.345 8 ↓
Mid Mid (pH 6-8) 1.66 2.8 -65.88 2 6 0 92 283.353 8 ↓
Mid Mid (pH 6-8) 1.21 3.29 -22.39 2 6 0 84 283.353 8 ↓

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Rings

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

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