UCSF

ZINC05376319

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 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) 4.56 5.77 -9.19 2 4 0 65 310.378 2
Mid Mid (pH 6-8) 4.07 5.89 -46.47 1 4 -1 64 309.37 3

Activity (Go SEA)

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