UCSF

ZINC00378541

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 17 Yes

Popular Name: (3-Methoxy-benzyl)-pyridin-3-ylmethyl-amine (3-Methoxy-benzyl)-pyridin-3-ylm…

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CAS Number: 510723-55-4

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) 1.69 5.79 -47.3 2 3 1 39 229.303 5 ↓
Lo Low (pH 4.5-6) 1.69 6.07 -108.45 3 3 2 40 230.311 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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