UCSF

ZINC62941691

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 1.34 7.46 -34.38 2 5 1 46 296.435 6
Hi High (pH 8-9.5) 1.34 5.9 -4.01 1 5 0 45 295.427 6
Mid Mid (pH 6-8) 1.34 7.41 -90.75 3 5 2 51 297.443 6

Activity (Go SEA)

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

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