UCSF

ZINC43894101

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 Yes

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) 2.90 6.02 -40.29 2 3 1 33 264.437 9
Mid Mid (pH 6-8) 2.90 8.38 -38.09 2 3 1 29 264.437 9

Activity (Go SEA)

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