UCSF

ZINC61721675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 20 Yes

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) 2.07 7.56 -122.48 1 6 -2 109 275.26 4
Lo Low (pH 4.5-6) 2.07 5.57 -55.86 2 6 -1 107 276.268 4

Activity (Go SEA)

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