UCSF

ZINC19453691

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 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) 3.03 8.08 -36.69 1 7 1 69 411.526 6 ↓
Hi High (pH 8-9.5) 3.03 7.71 -11.67 0 7 0 68 410.518 6 ↓
Mid Mid (pH 6-8) 3.03 10.45 -127.82 2 7 2 70 412.534 6 ↓
Lo Low (pH 4.5-6) 3.03 10.08 -59.91 1 7 1 69 411.526 6 ↓

Activity (Go SEA)

Rings

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

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