UCSF

ZINC69134518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 17 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) -0.47 0.82 -56.7 3 5 1 70 239.295 2
Hi High (pH 8-9.5) -0.47 0.53 -52.99 1 5 -1 69 237.279 2
Mid Mid (pH 6-8) -0.47 1.69 -81.97 2 5 0 73 238.287 2

Activity (Go SEA)

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

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