UCSF

ZINC41837092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 28 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) 2.96 9.71 -40.9 0 7 -1 85 391.432 5
Mid Mid (pH 6-8) 2.50 10.98 -15.17 1 7 0 82 392.44 5

Activity (Go SEA)

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

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