UCSF

ZINC15937399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 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) 3.44 10.48 -8.86 1 6 0 67 396.466 7 ↓
Mid Mid (pH 6-8) 3.44 11.46 -39.04 2 6 1 68 397.474 7 ↓
Lo Low (pH 4.5-6) 3.44 12.81 -96.03 3 6 2 70 398.482 8 ↓
Lo Low (pH 4.5-6) 3.44 10.84 -36.91 2 6 1 68 397.474 7 ↓

Activity (Go SEA)

Rings

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

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