UCSF

ZINC45322919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 30 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) 5.27 9.97 -53.95 3 4 1 55 426.964 10
Hi High (pH 8-9.5) 5.27 8.71 -8.37 2 4 0 51 425.956 10

Activity (Go SEA)

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