UCSF

ZINC37842389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.09 5.46 -43.23 2 5 1 53 249.338 2
Mid Mid (pH 6-8) -0.09 3.27 -8.74 1 5 0 52 248.33 2

Activity (Go SEA)

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