UCSF

ZINC25499871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.20 13.56 -53.77 2 6 -1 98 388.447 5
Hi High (pH 8-9.5) 5.65 11.95 -116.68 1 6 -2 101 387.439 5

Activity (Go SEA)

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