UCSF

ZINC15937416

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 33 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) 4.25 13.41 -8.72 1 6 0 67 440.547 8 ↓
Mid Mid (pH 6-8) 4.25 15.33 -39.14 2 6 1 68 441.555 9 ↓
Lo Low (pH 4.5-6) 4.25 14.66 -99.12 3 6 2 70 442.563 8 ↓
Lo Low (pH 4.5-6) 4.25 14.19 -41.75 2 6 1 68 441.555 8 ↓

Activity (Go SEA)

Rings

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