UCSF

ZINC71555790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 31 Yes

Popular Name: ethyl ethyl

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Annotations

None

Vendors

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) 2.40 11.71 -93.65 3 8 2 82 443.573 7 ↓
Hi High (pH 8-9.5) 2.40 6.83 -13.7 1 8 0 79 441.557 7 ↓
Mid Mid (pH 6-8) 2.40 9.35 -48.14 2 8 1 80 442.565 7 ↓
Mid Mid (pH 6-8) 2.40 9.29 -46.43 2 8 1 80 442.565 7 ↓

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Rings

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

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