UCSF

ZINC60023493

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.47 4.23 -124.72 2 12 -2 185 571.014 9
Hi High (pH 8-9.5) 1.47 5 -203.9 1 12 -3 188 570.006 9

Activity (Go SEA)

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

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