UCSF

ZINC40118556

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 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) 2.17 5.44 -12.65 0 5 0 42 354.397 5
Mid Mid (pH 6-8) 2.17 7.38 -51.6 1 5 1 43 355.405 5

Activity (Go SEA)

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