UCSF

ZINC42141046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 2.40 4.88 -11.44 3 5 0 71 276.727 2
Mid Mid (pH 6-8) 2.40 5.33 -37.76 4 5 1 72 277.735 2

Activity (Go SEA)

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

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