UCSF

ZINC12188930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2008 20 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) 2.06 -1.76 -10.77 1 4 0 47 287.388 5
Mid Mid (pH 6-8) 2.06 -1.52 -36.03 2 4 1 48 288.396 5

Activity (Go SEA)

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