UCSF

ZINC41585835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

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) 4.17 10.22 -41.29 2 8 1 97 486.548 6 ↓
Hi High (pH 8-9.5) 4.17 10.65 -47.15 0 8 -1 99 484.532 6 ↓
Mid Mid (pH 6-8) 4.17 10.99 -57.26 1 8 0 100 485.54 6 ↓
Mid Mid (pH 6-8) 4.17 9.88 -14.25 1 8 0 96 485.54 6 ↓
Mid Mid (pH 6-8) 4.17 12.09 -53.42 2 8 1 97 486.548 6 ↓
Lo Low (pH 4.5-6) 4.17 12.43 -112.91 3 8 2 99 487.556 6 ↓

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Rings

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

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