UCSF

ZINC52572822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 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) 2.14 8.14 -104.82 3 4 2 43 290.407 8
Mid Mid (pH 6-8) 2.14 5.78 -38.74 2 4 1 42 289.399 8

Activity (Go SEA)

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

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