UCSF

ZINC55616106

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 23 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) 1.94 3.41 -54.22 1 6 -1 87 353.445 5
Mid Mid (pH 6-8) 1.94 3.36 -16.46 2 6 0 85 354.453 5

Activity (Go SEA)

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

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