UCSF

ZINC05887519

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 31 No

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) 3.87 9 -63.26 1 5 -1 81 416.428 6
Mid Mid (pH 6-8) 4.31 -0.37 -20.54 2 5 0 77 417.436 5

Activity (Go SEA)

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