UCSF

ZINC52733589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 22 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) -0.62 5.41 -40.13 2 7 0 93 301.302 5
Hi High (pH 8-9.5) -0.55 3.92 -81.52 1 7 -1 99 300.294 5

Activity (Go SEA)

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