UCSF

ZINC04168328

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 24 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) 3.36 -0.2 -8.75 1 4 0 51 340.81 3 ↓
Lo Low (pH 4.5-6) 3.36 -0.09 -38.84 2 4 1 52 341.818 3 ↓

Activity (Go SEA)

Rings

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