UCSF

ZINC49546379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) 4.47 10.34 -44.77 3 7 1 89 423.896 6 ↓
Ref Reference (pH 7) 4.47 10.32 -15.31 2 7 0 87 422.888 6 ↓
Mid Mid (pH 6-8) 4.47 10.14 -12.18 2 7 0 87 422.888 6 ↓
Mid Mid (pH 6-8) 4.47 10.33 -44.99 3 7 1 89 423.896 6 ↓

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Rings

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

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