UCSF

ZINC61446599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) -1.34 -2.69 -17.42 2 8 0 106 300.34 3
Hi High (pH 8-9.5) -1.34 -2.2 -45.8 1 8 -1 103 299.332 3

Activity (Go SEA)

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

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