UCSF

ZINC62602507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 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) 0.81 6.02 -14.61 2 7 0 93 307.379 8 ↓
Hi High (pH 8-9.5) 0.81 5.99 -40.03 1 7 -1 91 306.371 8 ↓
Mid Mid (pH 6-8) 0.81 6.98 -56.72 2 7 0 96 307.379 8 ↓
Mid Mid (pH 6-8) 0.81 7.56 -44.37 3 7 1 97 308.387 8 ↓

Activity (Go SEA)

Rings

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

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