UCSF

ZINC01604123

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: 3-(4-phenylpiperazin-1-yl)propan-1-amine 3-(4-phenylpiperazin-1-yl)propan…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20529-19-5 , [20529-19-5]

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) 1.01 5.49 -111.03 4 3 2 35 221.348 4 ↓
Hi High (pH 8-9.5) 1.01 2.91 -3.4 2 3 0 32 219.332 4 ↓
Mid Mid (pH 6-8) 1.01 3.28 -44.97 3 3 1 34 220.34 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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