UCSF

ZINC05911312

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 18 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) 2.01 4.45 -38.35 1 4 -1 69 259.31 2
Lo Low (pH 4.5-6) 1.55 5.52 -9.4 2 4 0 66 260.318 2
Lo Low (pH 4.5-6) 2.01 4.43 -38.08 1 4 -1 69 259.31 2

Activity (Go SEA)

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