UCSF

ZINC42256530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.28 6.41 -14.16 1 5 0 60 332.157 1
Hi High (pH 8-9.5) 3.28 5.99 -44.45 0 5 -1 58 331.149 1

Activity (Go SEA)

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

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