UCSF

ZINC14751893

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 36 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) 4.97 13.67 -15.53 2 7 0 85 488.563 10
Lo Low (pH 4.5-6) 4.97 13.92 -44.43 3 7 1 87 489.571 10

Activity (Go SEA)

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