UCSF

ZINC43434623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.77 4.15 -13.1 1 6 0 76 270.329 7
Mid Mid (pH 6-8) 0.77 5.16 -45.59 2 6 1 80 271.337 7

Activity (Go SEA)

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