UCSF

ZINC04522885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 No

Popular Name: 3,4-Dinitrotoluene 3,4-Dinitrotoluene

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CAS Number: 610-39-9

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) 2.23 7.01 -14.06 0 6 0 92 182.135 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 60 TCI

Activity (Go SEA)

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