UCSF

ZINC89228918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2013 16 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) 1.76 4.74 -15.18 1 5 0 75 219.244 3
Hi High (pH 8-9.5) 1.38 4.92 -46.79 0 5 -1 81 218.236 3

Activity (Go SEA)

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

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