UCSF

ZINC09045297

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 No

Download: MOL2 SDF SMILES Flexibase

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) 3.91 11.39 -73.2 1 7 0 83 466.578 11
Mid Mid (pH 6-8) 4.35 10.76 -44.52 2 7 1 81 467.586 10

Activity (Go SEA)

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