UCSF

ZINC55053811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 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) 2.36 9.66 -45.13 1 5 1 43 395.571 7
Hi High (pH 8-9.5) 2.36 7.6 -5.86 0 5 0 41 394.563 7

Activity (Go SEA)

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

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