UCSF

ZINC37786537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.21 9.01 -73.37 3 3 2 21 297.531 5
Lo Low (pH 4.5-6) 3.21 9.94 -177.44 4 3 3 25 298.539 5

Activity (Go SEA)

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