UCSF

ZINC62883571

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.40 15.74 -57.48 1 6 0 70 458.534 8
Mid Mid (pH 6-8) 6.40 15.63 -14.62 0 6 0 69 457.526 8

Activity (Go SEA)

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

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