UCSF

ZINC06025016

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) 2.79 7.66 -15.26 2 6 0 76 404.392 7
Lo Low (pH 4.5-6) 2.79 8.02 -36.94 3 6 1 77 405.4 7

Activity (Go SEA)

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