UCSF

ZINC33985865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 9 Yes

CAS Numbers: 3343-53-1 , [3343-53-1]

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) -2.16 -4.21 -17.62 3 4 0 78 134.131 4

Activity (Go SEA)

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