UCSF

ZINC71552439

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 20 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) 1.04 7.84 -20.65 0 5 0 55 271.32 2
Mid Mid (pH 6-8) 1.04 8.13 -37.5 1 5 1 56 272.328 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.