UCSF

ZINC44405936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 32 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) 7.41 15.57 -183.12 4 5 3 42 455.796 10
Mid Mid (pH 6-8) 7.41 13.73 -85.04 3 5 2 41 454.788 10
Mid Mid (pH 6-8) 7.41 12.82 -107.56 3 5 2 41 454.788 10

Activity (Go SEA)

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