UCSF

ZINC39695817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 2.70 8.47 -52.54 4 9 1 113 506.675 5
Lo Low (pH 4.5-6) 2.70 8.9 -106.31 5 9 2 114 507.683 5

Activity (Go SEA)

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