UCSF

ZINC22150055

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 0.72 2.35 -47.14 3 5 1 68 274.341 2
Mid Mid (pH 6-8) 0.72 -0.07 -9.25 2 5 0 67 273.333 2

Activity (Go SEA)

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