UCSF

ZINC36103720

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: [4-[(4-benzylpiperazin-1-yl)methyl]-1-piperidyl]-(4-fluorophenyl)methanone [4-[(4-benzylpiperazin-1-yl)meth…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.16 11.48 -48.58 1 4 1 28 396.53 5 ↓
Hi High (pH 8-9.5) 3.16 9.51 -8.42 0 4 0 27 395.522 5 ↓
Mid Mid (pH 6-8) 3.16 11.76 -45.75 1 4 1 28 396.53 5 ↓

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

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