UCSF

ZINC65534812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: 1-benzyl-4-(2-fluorobenzyl)piperazine 1-benzyl-4-(2-fluorobenzyl)piper…

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Other Names:

MFCD00810716

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) 0.47 4.84 -47.35 2 8 1 81 324.405 6 ↓
Hi High (pH 8-9.5) 0.47 2.36 -15.69 1 8 0 80 323.397 6 ↓

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

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