UCSF

ZINC05273533

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) -4.30 -13.51 -17.5 8 11 0 197 342.297 8
Hi High (pH 8-9.5) -4.79 -13.09 -63.44 7 11 -1 200 341.289 8

Activity (Go SEA)

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