UCSF

ZINC08964940

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 31 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) 0.92 1.25 -11.85 2 8 0 123 431.477 5
Lo Low (pH 4.5-6) 0.92 1.35 -51.64 3 8 1 125 432.485 5
Lo Low (pH 4.5-6) 0.92 1.36 -37.94 3 8 1 125 432.485 5
Lo Low (pH 4.5-6) 0.92 1.46 -86.24 4 8 2 126 433.493 5

Activity (Go SEA)

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