UCSF

ZINC09041794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.33 7.65 -49.17 2 9 1 99 483.541 8
Mid Mid (pH 6-8) 1.30 8.32 -50.79 1 9 1 96 483.541 9

Activity (Go SEA)

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