UCSF

ZINC21797250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 0.82 2.54 -44.78 3 5 1 68 290.796 2
Mid Mid (pH 6-8) 0.82 0.14 -11.08 2 5 0 67 289.788 2

Activity (Go SEA)

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