UCSF

ZINC26742370

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 26 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) 5.46 10.51 -12.54 1 5 0 72 383.554 12
Mid Mid (pH 6-8) 5.46 10.57 -41.22 0 5 -1 75 382.546 12

Activity (Go SEA)

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