UCSF

ZINC28644739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 46 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) 8.24 17.2 -250.43 7 7 4 83 677.124 15
Hi High (pH 8-9.5) 8.24 16.36 -130.27 5 7 2 80 675.108 15
Hi High (pH 8-9.5) 8.24 15.95 -83.97 4 7 1 79 674.1 15
Mid Mid (pH 6-8) 8.24 16.78 -185.68 6 7 3 82 676.116 15

Activity (Go SEA)

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