UCSF

ZINC04996073

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 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) 6.46 11.24 -10.12 1 3 0 45 364.857 2
Hi High (pH 8-9.5) 6.91 9.71 -44.92 0 3 -1 48 363.849 2

Activity (Go SEA)

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