UCSF

ZINC04791061

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 36 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) 5.20 13.47 -15.7 1 8 0 83 489.572 10
Mid Mid (pH 6-8) 5.20 13.91 -35.24 2 8 1 85 490.58 10

Activity (Go SEA)

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