UCSF

ZINC04737174

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 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) 5.54 8.2 -8.4 2 6 0 95 396.013 3
Mid Mid (pH 6-8) 5.54 9.2 -40.06 1 6 -1 98 395.005 3

Activity (Go SEA)

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