UCSF

ZINC57718267

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 24 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) 3.14 9.32 -96.69 2 5 2 46 398.4 10
Hi High (pH 8-9.5) 3.14 6.85 -42.59 1 5 1 45 397.392 10

Activity (Go SEA)

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