UCSF

ZINC55547527

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 24 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) 3.74 4.68 -42.13 1 5 -1 77 388.227 3
Mid Mid (pH 6-8) 3.74 4.62 -12.49 2 5 0 75 389.235 3

Activity (Go SEA)

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

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