UCSF

ZINC00469320

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 2.92 4.39 -17.42 2 6 0 88 330.727 4
Hi High (pH 8-9.5) 3.07 1.77 -65.55 1 6 -1 91 329.719 4
Hi High (pH 8-9.5) 3.25 -1.41 -48.57 1 6 -1 95 329.719 4

Activity (Go SEA)

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