UCSF

ZINC35291154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 26 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) 2.72 7.3 -21.58 2 6 0 76 370.84 5
Lo Low (pH 4.5-6) 2.72 7.77 -44.13 3 6 1 77 371.848 5

Activity (Go SEA)

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