UCSF

ZINC65164344

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 22 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) 0.80 3.28 -15.97 1 7 0 85 323.374 4
Mid Mid (pH 6-8) 0.80 3.75 -45.48 2 7 1 86 324.382 4
Mid Mid (pH 6-8) 0.80 3.76 -45.48 2 7 1 86 324.382 4

Activity (Go SEA)

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

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