UCSF

ZINC27559123

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 40 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) 2.42 7.75 -122.31 8 9 2 133 557.78 22
Mid Mid (pH 6-8) 2.42 9.13 -201.32 9 9 3 137 558.788 22

Activity (Go SEA)

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