UCSF

ZINC43410837

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.27 9.04 -10.79 2 3 0 42 317.483 4
Mid Mid (pH 6-8) 3.27 9.46 -32.06 3 3 1 43 318.491 4

Activity (Go SEA)

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