UCSF

ZINC02454827

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 15 Yes

Popular Name: 1-Amino-3-(2-isopropyl-phenoxy)-propan-2-ol 1-Amino-3-(2-isopropyl-phenoxy)-…

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CAS Number: 524730-42-5

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) 1.15 1.87 -46.71 4 3 1 57 210.297 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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