UCSF

ZINC39884913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 No

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) 5.58 12.85 -16.51 1 6 0 92 466.946 6
Hi High (pH 8-9.5) 5.77 11.3 -51.86 0 6 -1 99 465.938 6

Activity (Go SEA)

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