UCSF

ZINC39967358

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 32 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) 3.45 10.49 -18.01 1 9 0 108 475.596 9
Hi High (pH 8-9.5) 3.63 9.05 -44.41 0 9 -1 115 474.588 9

Activity (Go SEA)

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