UCSF

ZINC17159698

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.28 -0.37 -42.12 2 6 -1 101 176.159 0
Mid Mid (pH 6-8) -0.73 0.1 -28.73 3 6 0 98 177.167 0

Activity (Go SEA)

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

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