UCSF

ZINC49234467

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 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) 2.63 2.22 -13.99 3 5 0 88 301.418 3
Mid Mid (pH 6-8) 1.70 1.36 -71.64 3 5 0 89 301.418 4
Mid Mid (pH 6-8) 2.63 2.07 -56.81 4 5 1 90 302.426 3
Mid Mid (pH 6-8) 1.70 1.5 -45.94 2 5 -1 87 300.41 4

Activity (Go SEA)

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

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