UCSF

ZINC05093673

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 23 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) 3.94 6.54 -10.05 2 5 0 74 372.222 2
Hi High (pH 8-9.5) 4.85 5.14 -48.56 1 5 -1 81 371.214 2
Hi High (pH 8-9.5) 4.40 4.49 -56.14 1 5 -1 77 371.214 2
Hi High (pH 8-9.5) 4.40 4.8 -44.76 1 5 -1 77 371.214 2

Activity (Go SEA)

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