UCSF

ZINC28966875

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 25 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) 1.79 -1.07 -36.94 6 8 0 139 346.339 6
Hi High (pH 8-9.5) 1.79 -0.13 -82.5 5 8 -1 142 345.331 6
Hi High (pH 8-9.5) 1.79 0.47 -127.39 4 8 -2 145 344.323 6

Activity (Go SEA)

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