UCSF

ZINC29374909

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 29 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) 4.83 11.89 -44.42 2 4 1 37 388.535 5
Mid Mid (pH 6-8) 4.83 9.51 -13.92 1 4 0 36 387.527 5

Activity (Go SEA)

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