UCSF

ZINC05730479

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 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) 3.21 5.96 -12.54 2 5 0 74 293.326 2
Hi High (pH 8-9.5) 3.66 4.21 -48.45 1 5 -1 77 292.318 2
Hi High (pH 8-9.5) 3.66 3.88 -59 1 5 -1 77 292.318 2

Activity (Go SEA)

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