UCSF

ZINC39967683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 6.09 13.82 -19.78 1 7 0 86 476.631 9
Hi High (pH 8-9.5) 6.27 12.6 -52.68 0 7 -1 92 475.623 9

Activity (Go SEA)

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