UCSF

ZINC36885850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.55 5.63 -52.25 3 7 0 103 269.301 8
Hi High (pH 8-9.5) -0.55 3.78 -68.26 2 7 -1 102 268.293 8

Activity (Go SEA)

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