UCSF

ZINC62809878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 15 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) -0.83 3.26 -95.46 3 5 2 51 215.297 3
Hi High (pH 8-9.5) -0.83 -0.79 -10.17 1 5 0 45 213.281 3
Mid Mid (pH 6-8) -0.83 0.91 -46.78 2 5 1 49 214.289 3

Activity (Go SEA)

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

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