UCSF

ZINC34744405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 13 No

CAS Numbers: 36768-62-4 , 826-36-8

Other Names:

Triacetonediamine

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) -1.02 3.23 -16.23 0 4 0 54 185.223 6
Lo Low (pH 4.5-6) -1.02 4.8 -34.25 1 4 1 56 186.231 6

Activity (Go SEA)

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