UCSF

ZINC05164411

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 25 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) 3.87 13.06 -17.27 0 7 0 89 398.22 3
Lo Low (pH 4.5-6) 3.87 13.58 -43.97 1 7 1 90 399.228 3

Activity (Go SEA)

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