UCSF

ZINC58540796

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 37 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.72 6.89 -49.39 3 8 0 113 509.419 5
Mid Mid (pH 6-8) 5.72 6.44 -58.85 2 8 -1 112 508.411 5

Activity (Go SEA)

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

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