UCSF

ZINC37776883

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 4.09 6.94 -4.95 2 2 0 32 269.388 5
Mid Mid (pH 6-8) 4.09 7.46 -37.88 3 2 1 37 270.396 5

Activity (Go SEA)

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