UCSF

ZINC04663007

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 18 No

Popular Name: N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine hydrochloride N-[4-nitro-2-(trifluoromethyl)ph…

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CAS Numbers: , 381241-12-9

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) 1.65 4.15 -56.04 4 5 1 85 264.227 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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