UCSF

ZINC03613211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 16 Yes

Popular Name: (4-Fluoro-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine (4-Fluoro-benzyl)-(1-methyl-1H-p…

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CAS Numbers: 1052413-69-0 , 774555-32-7

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) 2.28 7.73 -48.69 2 2 1 22 219.283 4 ↓
Hi High (pH 8-9.5) 2.28 6.38 -5.32 1 2 0 17 218.275 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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