UCSF

ZINC05853707

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 30 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) 2.10 8.98 -52.77 2 7 1 90 416.494 5
Mid Mid (pH 6-8) 2.10 6.79 -11.94 1 7 0 89 415.486 5

Activity (Go SEA)

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