UCSF

ZINC04942492

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 28 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) 4.22 8.21 -14.77 1 6 0 75 376.412 5
Hi High (pH 8-9.5) 4.22 8.99 -52.2 0 6 -1 78 375.404 5

Activity (Go SEA)

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