UCSF

ZINC04575507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 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) 1.65 3.38 -13.98 3 5 0 81 290.373 2
Mid Mid (pH 6-8) 1.65 3.78 -40.25 4 5 1 82 291.381 2

Activity (Go SEA)

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