UCSF

ZINC05357949

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 25 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) 4.72 4.54 -16.38 3 6 0 91 336.347 4
Hi High (pH 8-9.5) 4.72 5.53 -65.25 2 6 -1 94 335.339 4

Activity (Go SEA)

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