UCSF

ZINC04212261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 26 Yes

CAS Number: 55165-22-5

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) 2.34 -1.7 -50.16 4 7 1 109 362.402 6

Activity (Go SEA)

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