UCSF

ZINC65356293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.43 4.85 -36.28 2 5 1 68 308.361 4
Mid Mid (pH 6-8) 4.43 5.47 -110.05 3 5 2 70 309.369 4

Activity (Go SEA)

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

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