UCSF

ZINC43894444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.42 7.77 -107.54 3 3 2 34 251.418 7
Mid Mid (pH 6-8) 2.42 6.68 -31.84 2 3 1 29 250.41 7

Activity (Go SEA)

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