UCSF

ZINC06051530

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 24 No

Popular Name: ethyl ethyl

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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) 3.47 9.64 -35.39 2 6 1 72 351.496 7 ↓
Hi High (pH 8-9.5) 3.47 8.75 -11.42 1 6 0 70 350.488 7 ↓
Mid Mid (pH 6-8) 3.30 8.3 -33.91 2 6 1 68 351.496 6 ↓
Mid Mid (pH 6-8) 3.30 8.64 -33.24 2 6 1 68 351.496 6 ↓
Lo Low (pH 4.5-6) 3.30 9.24 -95.09 3 6 2 70 352.504 6 ↓
Lo Low (pH 4.5-6) 3.30 9.57 -94.3 3 6 2 70 352.504 6 ↓

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Rings

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

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