UCSF

ZINC06547559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 29 Yes

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) 3.47 9.09 -12.25 2 5 0 71 405.523 5
Lo Low (pH 4.5-6) 3.47 9.37 -45.3 3 5 1 72 406.531 5

Activity (Go SEA)

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