UCSF

ZINC04878798

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 20 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) -0.86 0.7 -33.97 1 2 1 12 269.412 7
Mid Mid (pH 6-8) -0.86 2.35 -119.87 2 2 2 16 270.42 7

Activity (Go SEA)

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