UCSF

ZINC62039333

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 28 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) 1.31 10.88 -103.85 3 7 2 88 406.552 7 ↓
Hi High (pH 8-9.5) 1.31 6.21 -13.56 1 7 0 86 404.536 7 ↓
Mid Mid (pH 6-8) 1.31 8.46 -60.97 2 7 1 87 405.544 7 ↓
Mid Mid (pH 6-8) 1.31 8.63 -48.34 2 7 1 87 405.544 7 ↓

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Rings

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

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