UCSF

ZINC49389409

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 0.33 4 -10.89 1 6 0 76 264.329 6
Lo Low (pH 4.5-6) 0.33 6.41 -45.27 2 6 1 78 265.337 6

Activity (Go SEA)

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

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