UCSF

ZINC69944462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 1.42 3.1 -44.41 3 3 1 44 223.34 3
Hi High (pH 8-9.5) 1.42 2.31 -2.54 2 3 0 42 222.332 3
Mid Mid (pH 6-8) 1.42 4.33 -27.74 3 3 1 44 223.34 3
Mid Mid (pH 6-8) 1.42 4.7 -119.53 4 3 2 45 224.348 3

Activity (Go SEA)

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

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