UCSF

ZINC05814017

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 1.69 9.78 -57.47 0 5 -1 75 369.447 5
Lo Low (pH 4.5-6) 1.69 10.06 -82.29 1 5 0 76 370.455 5

Activity (Go SEA)

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