UCSF

ZINC58562385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 43 No

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) 6.12 9.55 -54.15 6 9 1 133 589.757 14
Mid Mid (pH 6-8) 6.12 10.78 -109.18 7 9 2 138 590.765 14

Activity (Go SEA)

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

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