UCSF

ZINC39675921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 2.31 11.68 -120.54 4 7 2 83 487.648 6
Hi High (pH 8-9.5) 2.31 8.42 -63.4 3 7 1 82 486.64 6

Activity (Go SEA)

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