UCSF

ZINC39757328

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 4.91 11.46 -56.03 3 6 1 80 478.638 7
Hi High (pH 8-9.5) 4.91 11.52 -85.57 2 6 0 82 477.63 7

Activity (Go SEA)

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