UCSF

ZINC37857905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 29 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) 3.73 8.25 -41.93 2 6 1 73 414.865 3
Mid Mid (pH 6-8) 3.73 9.02 -29.49 1 6 0 76 413.857 3

Activity (Go SEA)

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