UCSF

ZINC40118218

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 4.79 9.17 -51.39 1 5 -1 78 400.454 7
Lo Low (pH 4.5-6) 4.79 8.41 -9.89 2 5 0 76 401.462 7

Activity (Go SEA)

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