UCSF

ZINC41584792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 Yes

Popular Name: ethyl ethyl

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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) 4.38 12.14 -61.9 2 9 1 108 516.574 8 ↓
Hi High (pH 8-9.5) 4.38 10.58 -50.41 0 9 -1 110 514.558 8 ↓
Mid Mid (pH 6-8) 4.38 12.71 -34.36 1 9 0 111 515.566 8 ↓
Mid Mid (pH 6-8) 4.38 9.99 -29.11 1 9 0 107 515.566 8 ↓

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Rings

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

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