UCSF

ZINC60323934

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 22 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) 2.23 8.94 -26.94 1 7 0 93 422.129 4
Mid Mid (pH 6-8) 2.23 9.37 -52.29 2 7 1 94 423.137 4

Activity (Go SEA)

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

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