UCSF

ZINC22355482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 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) 3.25 7.05 -40.77 1 6 -1 79 368.438 5
Mid Mid (pH 6-8) 2.79 8.31 -12.22 2 6 0 76 369.446 5

Activity (Go SEA)

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