UCSF

ZINC49432180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 Yes

Popular Name: methyl methyl

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Annotations

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) 0.90 5.48 -12.41 0 7 0 63 295.368 4 ↓
Lo Low (pH 4.5-6) 0.90 8.08 -87.69 2 7 2 65 297.384 4 ↓
Lo Low (pH 4.5-6) 0.90 7.62 -54.2 1 7 1 64 296.376 4 ↓
Lo Low (pH 4.5-6) 0.90 5.93 -29.2 1 7 1 64 296.376 4 ↓

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Rings

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

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