UCSF

ZINC19702602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 12 Yes

Popular Name: 1-(3-dimethylaminopropyl)piperazine 1-(3-dimethylaminopropyl)piperazine

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CAS Number: 877-96-3

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) -0.06 2.75 -83.16 3 3 2 24 173.304 4 ↓
Hi High (pH 8-9.5) -0.06 1.4 -33.95 2 3 1 20 172.296 4 ↓
Mid Mid (pH 6-8) -0.06 -0.07 -22.2 1 3 0 22 171.288 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 77-79°/0.4mm Oakwood Chemical
BP 77-79°/0.5mm Oakwood Chemical
BP 77-79°C/0.5mm Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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