UCSF

ZINC55150008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 2.71 7.99 -60.74 2 6 -1 98 355.414 5
Lo Low (pH 4.5-6) 2.71 6.25 -26.56 3 6 0 95 356.422 5

Activity (Go SEA)

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