UCSF

ZINC35641759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 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) 4.49 10.72 -9.81 1 7 0 65 472.586 8
Mid Mid (pH 6-8) 4.49 12.56 -41.22 2 7 1 66 473.594 8

Activity (Go SEA)

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

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