UCSF

ZINC37825898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.27 2.78 -11.38 2 6 0 76 277.324 4
Lo Low (pH 4.5-6) -0.27 4.91 -45.34 3 6 1 77 278.332 4

Activity (Go SEA)

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