UCSF

ZINC05142363

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 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) 4.65 11.48 -13.12 0 5 0 55 403.507 5
Lo Low (pH 4.5-6) 4.65 11.76 -44.11 1 5 1 57 404.515 5

Activity (Go SEA)

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