UCSF

ZINC19810002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 5.45 11.19 -19.49 1 5 0 64 404.491 5
Hi High (pH 8-9.5) 5.52 10.22 -51.99 0 5 -1 71 403.483 5

Activity (Go SEA)

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