UCSF

ZINC56894900

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 13 Yes

Popular Name: 1-ethyl-3-(2-thienyl)piperazine 1-ethyl-3-(2-thienyl)piperazine

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Other Names:

MFCD21091951

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) 1.85 4.48 -33.78 2 2 1 16 197.327 2 ↓
Mid Mid (pH 6-8) 1.85 2.2 -2.09 1 2 0 15 196.319 2 ↓
Mid Mid (pH 6-8) 1.85 3.49 -33.74 2 2 1 20 197.327 2 ↓

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Rings

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

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