UCSF

ZINC38139249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 37 No

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) 3.00 6.02 -58.19 0 11 -1 143 525.542 7 ↓
Lo Low (pH 4.5-6) 2.54 8.25 -27.12 1 11 0 140 526.55 7 ↓
Lo Low (pH 4.5-6) 2.54 7.76 -43.31 1 11 0 140 526.55 7 ↓

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Rings

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

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