UCSF

ZINC71586677

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.71 11.53 -47.74 0 2 -1 40 259.369 6
Lo Low (pH 4.5-6) 4.71 9.75 -5.37 1 2 0 37 260.377 6

Activity (Go SEA)

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