UCSF

ZINC14534335

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 3.31 11.14 -14.62 2 8 0 98 449.555 10
Lo Low (pH 4.5-6) 3.31 11.39 -40.35 3 8 1 99 450.563 10
Lo Low (pH 4.5-6) 3.31 11.41 -41.63 3 8 1 99 450.563 10
Lo Low (pH 4.5-6) 3.31 11.67 -93.82 4 8 2 101 451.571 10

Activity (Go SEA)

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