UCSF

ZINC04946065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 19 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) -1.72 -0.26 -25.47 5 8 0 122 283.313 2
Hi High (pH 8-9.5) -0.99 -0.67 -58.7 4 8 -1 119 282.305 2

Activity (Go SEA)

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