UCSF

ZINC62810232

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 20 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) 1.35 3.79 -50.17 3 5 1 72 309.289 4 ↓
Hi High (pH 8-9.5) 1.54 0.86 -37.82 1 5 -1 74 307.273 4 ↓
Hi High (pH 8-9.5) 1.35 2.42 -7.09 2 5 0 67 308.281 4 ↓
Hi High (pH 8-9.5) 1.54 2.26 -60.27 2 5 0 78 308.281 4 ↓

Activity (Go SEA)

Rings

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

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