UCSF

ZINC12341348

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 18 Yes

Popular Name: 1,4-Di(2-pyridyl)piperazine 1,4-Di(2-pyridyl)piperazine

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CAS Number: 64728-49-0

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) 1.83 8.59 -76.09 2 4 2 35 242.326 2 ↓
Hi High (pH 8-9.5) 1.83 7.96 -6.84 0 4 0 32 240.31 2 ↓
Mid Mid (pH 6-8) 1.83 8.28 -32.51 1 4 1 34 241.318 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 127 TCI

Activity (Go SEA)

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