UCSF

ZINC09046791

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) 4.92 13 -45.55 2 7 1 81 502.031 11
Mid Mid (pH 6-8) 3.89 13.87 -46.34 1 7 1 77 502.031 12

Activity (Go SEA)

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