UCSF

ZINC55042398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 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) 4.07 10.8 -36.47 1 2 1 8 335.462 4
Hi High (pH 8-9.5) 4.07 10.38 -46.16 1 2 1 8 335.462 4
Hi High (pH 8-9.5) 4.07 8.34 -4.71 0 2 0 6 334.454 4

Activity (Go SEA)

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

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