UCSF

ZINC04899911

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 Yes

CAS Number: 110637-53-1

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) 2.26 4.8 -52.77 2 8 -1 117 329.373 12

Activity (Go SEA)

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