UCSF

ZINC22740816

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.57 14.84 -51.97 1 7 1 64 484.576 3
Hi High (pH 8-9.5) 3.57 12.62 -16.01 0 7 0 62 483.568 3

Activity (Go SEA)

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

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