UCSF

ZINC39573365

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 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) 4.37 15.63 -43.34 1 6 1 61 441.552 8
Hi High (pH 8-9.5) 4.37 13.34 -11.27 0 6 0 60 440.544 8

Activity (Go SEA)

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