UCSF

ZINC55484127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 28 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) 2.24 8.07 -38.39 2 7 1 71 386.52 7
Hi High (pH 8-9.5) 2.24 7.32 -18.37 1 7 0 70 385.512 7

Activity (Go SEA)

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