UCSF

ZINC67980887

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: [4-(dimethylaminomethyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone [4-(dimethylaminomethyl)phenyl]-…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.40 10.18 -84.34 2 5 2 42 326.444 4 ↓
Hi High (pH 8-9.5) 1.40 7.37 -10.77 0 5 0 40 324.428 4 ↓
Mid Mid (pH 6-8) 1.40 9.84 -49.88 1 5 1 41 325.436 4 ↓

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

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