UCSF

ZINC38736688

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 24 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) 3.04 6.3 -18.9 1 6 0 75 346.456 5
Hi High (pH 8-9.5) 3.04 6.45 -51.13 0 6 -1 77 345.448 5
Lo Low (pH 4.5-6) 3.04 6.38 -40.34 2 6 1 76 347.464 5

Activity (Go SEA)

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

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