UCSF

ZINC55073963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 30 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) 1.86 6.98 -14.77 2 7 0 83 406.486 5
Hi High (pH 8-9.5) 1.86 7.47 -45.66 3 7 1 85 407.494 5

Activity (Go SEA)

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

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