UCSF

ZINC39753685

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 29 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) 4.29 10.18 -19.26 1 7 0 82 425.539 6
Hi High (pH 8-9.5) 4.47 8.76 -52.37 0 7 -1 88 424.531 6

Activity (Go SEA)

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