UCSF

ZINC12437031

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 26 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) 6.22 7 -42.82 0 5 -1 70 403.27 1
Ref Reference (pH 7) 5.27 8.74 -38.92 0 5 -1 66 403.27 2
Mid Mid (pH 6-8) 5.76 8.83 -8 1 5 0 67 404.278 1

Activity (Go SEA)

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