UCSF

ZINC04256106

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 No

Popular Name: 4-Isopropyl-2-nitroaniline 4-Isopropyl-2-nitroaniline

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CAS Numbers: 63649-64-9 , [63649-64-9]

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) 2.82 5.16 -6.56 2 4 0 72 180.207 2 ↓
Hi High (pH 8-9.5) 4.96 9.08 -8.48 1 4 0 47 386.442 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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