UCSF

ZINC71502523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 25 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) 3.03 10.54 -51.3 2 5 1 51 337.447 5
Mid Mid (pH 6-8) 3.03 8.53 -30.35 2 5 1 51 337.447 5
Mid Mid (pH 6-8) 3.03 8.07 -15.91 1 5 0 50 336.439 5

Activity (Go SEA)

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

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