UCSF

ZINC14747115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 35 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) 5.10 12.51 -14.67 2 8 0 94 478.593 11
Lo Low (pH 4.5-6) 5.10 12.79 -38.85 3 8 1 96 479.601 11

Activity (Go SEA)

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