UCSF

ZINC28349819

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 38 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) 2.25 9.15 -62.39 3 11 1 134 558.71 9
Hi High (pH 8-9.5) 2.25 7.73 -20.58 2 11 0 130 557.702 9
Hi High (pH 8-9.5) 2.25 11.09 -44.75 3 11 1 131 558.71 9
Lo Low (pH 4.5-6) 2.25 9.49 -121.26 4 11 2 135 559.718 9

Activity (Go SEA)

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