UCSF

ZINC43687623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 30 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) 2.50 10.56 -45.55 3 6 1 72 412.554 11
Hi High (pH 8-9.5) 2.50 8.06 -17.66 2 6 0 71 411.546 11

Activity (Go SEA)

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