UCSF

ZINC14987980

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Substance Information

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

Popular Name: (1H-indol-4-ylmethyl)(pyridin-3-ylmethyl)amine (1H-indol-4-ylmethyl)(pyridin-3-…

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CAS Numbers: , 941239-16-3 , [941239-16-3]

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) 1.83 6.51 -45.5 3 3 1 45 238.314 4 ↓
Lo Low (pH 4.5-6) 1.83 6.79 -106.8 4 3 2 47 239.322 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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