UCSF

ZINC43423973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.44 3.28 -4.57 2 4 0 48 276.38 3
Mid Mid (pH 6-8) 2.44 5.5 -34.93 3 4 1 49 277.388 3

Activity (Go SEA)

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