UCSF

ZINC16590231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 27 Yes

Popular Name: methyl methyl

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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) 3.76 8.11 -15.08 1 6 0 75 426.325 6 ↓
Mid Mid (pH 6-8) 4.22 9.65 -45.11 1 6 0 80 426.325 6 ↓
Mid Mid (pH 6-8) 3.76 10.44 -61.98 2 6 1 76 427.333 6 ↓

Activity (Go SEA)

Rings

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