UCSF

ZINC55502789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 22 Yes

Popular Name: [2-oxo-2-(2-thienyl)ethyl]BLAHone [2-oxo-2-(2-thienyl)ethyl]BLAHone

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Annotations

None

Vendors

    None

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) 3.28 8.25 -17.19 1 4 0 63 348.474 3 ↓
Hi High (pH 8-9.5) 3.74 5.28 -55.05 0 4 -1 66 347.466 3 ↓

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

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