UCSF

ZINC06548869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 27 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) 2.40 9.56 -45.24 3 5 1 62 363.485 6
Lo Low (pH 4.5-6) 2.40 9.8 -119.78 4 5 2 63 364.493 6

Activity (Go SEA)

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