UCSF

ZINC71049896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2011 14 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) 2.85 7.44 -2.49 1 1 0 12 189.302 2
Lo Low (pH 4.5-6) 2.85 7.94 -32.72 2 1 1 17 190.31 2

Activity (Go SEA)

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