UCSF

ZINC41585984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 Yes

Popular Name: methyl methyl

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Annotations

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Vendors

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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) 4.28 10.33 -44.11 2 9 1 107 502.547 7 ↓
Mid Mid (pH 6-8) 4.28 9.99 -16.24 1 9 0 105 501.539 7 ↓
Mid Mid (pH 6-8) 4.28 12.22 -58.5 2 9 1 107 502.547 7 ↓
Mid Mid (pH 6-8) 4.28 12.57 -118.46 3 9 2 108 503.555 7 ↓

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Rings

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

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