UCSF

ZINC25470825

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 2.05 5.1 -16.19 2 8 0 89 455.555 10
Lo Low (pH 4.5-6) 2.05 7.27 -60.35 3 8 1 90 456.563 10

Activity (Go SEA)

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