UCSF

ZINC44618413

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) -2.78 -0.23 -47.97 2 9 -1 143 290.277 5
Mid Mid (pH 6-8) -2.33 -2.98 -119.39 1 9 -2 146 289.269 5

Activity (Go SEA)

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