UCSF

ZINC43365139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 18 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) 1.68 6.56 -123.09 4 4 2 69 251.374 6
Mid Mid (pH 6-8) 1.68 6.25 -41.42 3 4 1 67 250.366 6

Activity (Go SEA)

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