UCSF

ZINC05376678

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 24 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) 3.67 7.69 -17.39 1 6 0 74 344.392 5
Mid Mid (pH 6-8) 3.67 7.22 -47.97 0 6 -1 76 343.384 5

Activity (Go SEA)

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