UCSF

ZINC39760834

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.57 7.04 -18.48 2 6 0 84 372.837 5
Hi High (pH 8-9.5) 3.39 5.68 -50.71 1 6 -1 90 371.829 5

Activity (Go SEA)

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