UCSF

ZINC40448751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 Yes

Popular Name: 3-(1-Piperazinylmethyl)-1H-pyrrolo[2,3-b]pyridine 3-(1-Piperazinylmethyl)-1H-pyrro…

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CAS Numbers: 625386-57-4 , N/A , [625386-57-4]

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) 0.29 2.97 -43.5 3 4 1 49 217.296 2 ↓
Hi High (pH 8-9.5) 0.29 1.63 -6.87 2 4 0 44 216.288 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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