UCSF

ZINC19229509

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 18 Yes

Popular Name: 1-Piperazin-1-yl-3-m-tolyloxy-propan-2-ol 1-Piperazin-1-yl-3-m-tolyloxy-pr…

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CAS Numbers: 110894-01-4 , N/A

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) 1.10 2.63 -38.08 3 4 1 46 251.35 5 ↓
Hi High (pH 8-9.5) 1.10 0.31 -6.53 2 4 0 45 250.342 5 ↓
Mid Mid (pH 6-8) 1.10 1.64 -41.74 3 4 1 49 251.35 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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