UCSF

ZINC06229165

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 28 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) 4.42 9.54 -12.96 1 4 0 59 404.413 6
Mid Mid (pH 6-8) 4.42 9.67 -42.34 0 4 -1 61 403.405 6

Activity (Go SEA)

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