UCSF

ZINC21822327

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 2.69 7.98 -76.95 2 7 1 80 399.496 5 ↓
Mid Mid (pH 6-8) 2.69 6.52 -15.87 1 7 0 79 398.488 5 ↓
Mid Mid (pH 6-8) 3.15 7.77 -43.82 1 7 0 83 398.488 5 ↓
Mid Mid (pH 6-8) 2.69 9.79 -62.83 2 7 1 80 399.496 5 ↓

Activity (Go SEA)

Rings

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