UCSF

ZINC22678366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 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) 3.12 3.51 -19.56 4 9 0 126 468.535 9
Hi High (pH 8-9.5) 3.12 3.58 -48.71 3 9 -1 128 467.527 9

Activity (Go SEA)

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

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