UCSF

ZINC39260564

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 35 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) 6.30 15.75 -15.86 1 6 0 73 518.067 8
Hi High (pH 8-9.5) 6.48 14.32 -47.92 0 6 -1 79 517.059 8

Activity (Go SEA)

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