UCSF

ZINC04756890

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 25 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) 2.82 -6.72 -17.77 1 7 0 92 404.897 6
Hi High (pH 8-9.5) 2.82 -6.14 -49.49 0 7 -1 94 403.889 6

Activity (Go SEA)

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