UCSF

ZINC02166880

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 21 No

Popular Name: 2,4,6-TRI-TERT-BUTYLNITROBENZENE 2,4,6-TRI-TERT-BUTYLNITROBENZENE

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CAS Number: 4074-25-3

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) 6.87 5.16 -4.55 0 3 0 45 291.435 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 206 TCI

Activity (Go SEA)

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