UCSF

ZINC16448925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 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) 5.21 5.92 -10.06 2 4 0 65 330.796 2
Hi High (pH 8-9.5) 5.21 6.69 -42.35 1 4 -1 68 329.788 2
Hi High (pH 8-9.5) 4.72 6.56 -97.69 0 4 -2 67 328.78 3

Activity (Go SEA)

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