UCSF

ZINC24830568

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 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) 4.28 9.87 -16.27 2 5 0 71 401.491 6
Hi High (pH 8-9.5) 4.10 8.81 -43.99 1 5 -1 77 400.483 6

Activity (Go SEA)

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