UCSF

ZINC05337353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 19 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) -0.88 -2.69 -11.49 4 8 0 119 269.236 2
Lo Low (pH 4.5-6) -0.88 -2.43 -36.15 5 8 1 121 270.244 2
Lo Low (pH 4.5-6) -0.88 -6.81 -34.83 5 8 1 121 270.244 2

Activity (Go SEA)

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