UCSF

ZINC69766918

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (3S)-3-ethyl-1-[2-(3-thienyl)ethyl]piperazin-2-one (3S)-3-ethyl-1-[2-(3-thienyl)eth…

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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) 1.57 5.66 -48.71 2 3 1 37 239.364 4 ↓
Mid Mid (pH 6-8) 1.57 4.45 -7.47 1 3 0 32 238.356 4 ↓

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

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