UCSF

ZINC71575715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 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) 3.86 7.68 -33.31 2 5 1 58 326.42 4
Mid Mid (pH 6-8) 3.86 7.58 -28.5 2 5 1 58 326.42 4
Mid Mid (pH 6-8) 3.86 7.52 -12.25 1 5 0 56 325.412 4

Activity (Go SEA)

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

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