UCSF

ZINC21698405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 2.38 9.33 -42.63 3 6 1 68 413.929 7
Hi High (pH 8-9.5) 2.38 7.38 -8.54 2 6 0 66 412.921 7

Activity (Go SEA)

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