UCSF

ZINC43328002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 33 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) 6.32 14.15 -39.29 4 5 1 77 458.711 16
Mid Mid (pH 6-8) 6.32 13.82 -12.51 3 5 0 75 457.703 16

Activity (Go SEA)

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