UCSF

ZINC39228109

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 5.84 10.3 -5.99 1 4 0 37 416.908 3
Mid Mid (pH 6-8) 5.84 12.4 -36.06 2 4 1 39 417.916 3

Activity (Go SEA)

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