UCSF

ZINC43307696

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) 5.37 11.64 -104.4 7 6 2 105 468.771 20
Mid Mid (pH 6-8) 5.37 11.3 -54.65 6 6 1 103 467.763 20

Activity (Go SEA)

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