UCSF

ZINC12363212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) 2.41 4.82 -9.27 1 4 0 42 276.38 4
Mid Mid (pH 6-8) 2.41 7.09 -44.1 2 4 1 43 277.388 4

Activity (Go SEA)

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