UCSF

ZINC00818800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2005 19 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) -0.53 1.75 -136.41 0 5 -2 85 259.261 5

Activity (Go SEA)

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