UCSF

ZINC65534020

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 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) 1.65 1.52 -38.86 0 7 -1 95 429.25 5
Mid Mid (pH 6-8) 1.46 4.06 -13.78 1 7 0 89 430.258 5
Mid Mid (pH 6-8) 1.46 3.86 -9.75 1 7 0 89 430.258 5

Activity (Go SEA)

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

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