UCSF

ZINC49380629

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.19 6.79 -24.07 1 6 0 66 320.349 4
Hi High (pH 8-9.5) 2.00 5.45 -51.93 0 6 -1 72 319.341 4

Activity (Go SEA)

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

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