UCSF

ZINC47939499

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 24 Yes

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) 3.35 7.73 -39.46 1 5 1 66 338.412 3
Hi High (pH 8-9.5) 3.35 7.28 -24.75 0 5 0 64 337.404 3

Activity (Go SEA)

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