UCSF

ZINC25445885

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 2.78 6.54 -16.78 1 8 0 86 442.512 10
Lo Low (pH 4.5-6) 2.78 8.84 -66.22 2 8 1 88 443.52 10

Activity (Go SEA)

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