UCSF

ZINC40151047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 33 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) -0.36 16.28 -104.78 3 8 2 92 452.555 10
Hi High (pH 8-9.5) -0.36 14.07 -38.66 2 8 1 91 451.547 10

Activity (Go SEA)

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