UCSF

ZINC25464174

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 1.94 5.1 -21.27 2 6 0 84 395.531 8
Hi High (pH 8-9.5) 2.40 3.96 -52.35 1 6 -1 87 394.523 8

Activity (Go SEA)

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