UCSF

ZINC00792386

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 13 Yes

Popular Name: 1-Amino-3-o-tolyloxy-propan-2-ol 1-Amino-3-o-tolyloxy-propan-2-ol

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CAS Numbers: 1452515-65-9 , 35948-73-3

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) 0.55 0.64 -46.94 4 3 1 57 182.243 4 ↓
Hi High (pH 8-9.5) 0.55 0.27 -5.98 3 3 0 55 181.235 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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