UCSF

ZINC06160439

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 14 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) -0.49 0 -12.47 2 6 0 78 218.282 5
Hi High (pH 8-9.5) -0.49 -0.24 -41.99 1 6 -1 80 217.274 5
Mid Mid (pH 6-8) -0.49 0.48 -44.07 3 6 1 79 219.29 5
Mid Mid (pH 6-8) -0.49 0.45 -43.91 3 6 1 79 219.29 5

Activity (Go SEA)

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

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