UCSF

ZINC43973477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 27 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) 2.92 10.12 -53.79 2 6 1 57 372.489 7
Hi High (pH 8-9.5) 2.92 7.86 -16.65 1 6 0 56 371.481 7

Activity (Go SEA)

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