UCSF

ZINC44613293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) -1.78 3.8 -51.32 1 7 -1 106 266.277 4
Mid Mid (pH 6-8) -1.32 1.79 -106.3 0 7 -2 109 265.269 4

Activity (Go SEA)

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