UCSF

ZINC53362839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 29 Yes

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) 5.24 8.51 -7.74 2 4 0 54 451.364 4
Hi High (pH 8-9.5) 5.24 9.25 -40.45 1 4 -1 57 450.356 4

Activity (Go SEA)

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