UCSF

ZINC00323631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 20 Yes

Popular Name: Benzyl-[1-(4-methoxy-phenyl)-but-3-enyl]-amine Benzyl-[1-(4-methoxy-phenyl)-but…

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CAS Number: 435345-18-9

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) 3.15 9.45 -38.86 2 2 1 26 268.38 7 ↓
Hi High (pH 8-9.5) 3.15 8.18 -3.75 1 2 0 21 267.372 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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