UCSF

ZINC36863198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.72 3.16 -12.13 3 6 0 78 247.302 4
Lo Low (pH 4.5-6) -3.77 2.56 -129.47 4 6 2 78 249.318 4

Activity (Go SEA)

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

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