UCSF

ZINC05093788

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 19 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) 3.07 4.55 -18.09 2 5 0 74 259.309 5
Hi High (pH 8-9.5) 3.98 3.14 -48.85 1 5 -1 81 258.301 5
Hi High (pH 8-9.5) 3.53 2.66 -57.72 1 5 -1 77 258.301 5
Hi High (pH 8-9.5) 3.53 2.93 -44.43 1 5 -1 77 258.301 5

Activity (Go SEA)

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