UCSF

ZINC05175401

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 10 Yes

Popular Name: 4,5,6,7-tetrahydro-2,1-benzisoxazol-3-amine 4,5,6,7-tetrahydro-2,1-benzisoxa…

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CAS Number: 13054-47-2

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) 1.20 0.91 -7.05 2 3 0 52 138.17 0 ↓
Mid Mid (pH 6-8) 1.20 0.84 -25.79 3 3 1 53 139.178 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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