UCSF

ZINC65314480

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 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) 2.96 9.71 -16.48 2 8 0 101 395.463 8
Hi High (pH 8-9.5) 2.97 9.17 -63.75 1 8 -1 104 394.455 9

Activity (Go SEA)

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

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