UCSF

ZINC04819116

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 No

Popular Name: 3-{[4-nitro-2-(trifluoromethyl)phenyl]amino}propan-1-ol 3-{[4-nitro-2-(trifluoromethyl)p…

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CAS Number: 115416-49-4

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) 2.22 3.44 -9.45 2 5 0 78 264.203 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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