UCSF

ZINC40124502

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 No

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) 1.16 1.31 -57.39 2 7 -1 108 352.322 3
Lo Low (pH 4.5-6) 1.16 0.55 -16.47 3 7 0 105 353.33 3

Activity (Go SEA)

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