UCSF

ZINC08064052

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 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) 2.26 9.68 -33 2 5 1 54 387.573 3
Hi High (pH 8-9.5) 2.26 7.43 -9.43 1 5 0 52 386.565 3

Activity (Go SEA)

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