UCSF

ZINC41151302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 29 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) 3.44 13.93 -28.71 2 8 1 84 388.455 5
Hi High (pH 8-9.5) 3.44 13.63 -12.15 1 8 0 83 387.447 5

Activity (Go SEA)

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