UCSF

ZINC38647210

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 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) 8.84 14.25 -14.41 2 5 0 74 471.988 7
Hi High (pH 8-9.5) 8.84 15.26 -60.26 1 5 -1 77 470.98 7
Hi High (pH 8-9.5) 8.84 13.87 -54.47 1 5 -1 77 470.98 7

Activity (Go SEA)

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