UCSF

ZINC05868204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 3.10 8.06 -7.74 1 5 0 68 277.349 5
Hi High (pH 8-9.5) 3.10 7.71 -43.9 0 5 -1 66 276.341 5

Activity (Go SEA)

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