UCSF

ZINC22146459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 34 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) 3.98 12.92 -115.89 0 7 -2 110 461.514 12
Mid Mid (pH 6-8) 3.98 11.96 -58.4 1 7 -1 107 462.522 12

Activity (Go SEA)

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