UCSF

ZINC35016963

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

Popular Name: 2-(3-thienyl)ethyl 2-(3-thienyl)ethyl

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Download: MOL2 SDF SMILES Flexibase

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) 2.15 6.9 -34.25 1 4 -1 57 331.389 5 ↓
Hi High (pH 8-9.5) 2.19 6.04 -103.85 0 4 -2 57 330.381 5 ↓
Hi High (pH 8-9.5) 2.94 7.07 -36.5 1 4 -1 51 331.389 6 ↓
Mid Mid (pH 6-8) 2.90 8 -11.58 2 4 0 50 332.397 6 ↓

Activity (Go SEA)

Rings

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