UCSF

ZINC05180258

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 19 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) 3.20 7.87 -13.87 1 5 0 68 277.349 6
Hi High (pH 8-9.5) 3.20 7.7 -44.12 0 5 -1 66 276.341 6

Activity (Go SEA)

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