UCSF

ZINC21784249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 Yes

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) 5.64 9.77 -40.84 1 5 -1 78 424.933 4
Mid Mid (pH 6-8) 5.18 10.88 -12.77 2 5 0 75 425.941 4

Activity (Go SEA)

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