UCSF

ZINC40116863

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 23 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) 2.57 6.03 -57.96 1 4 -1 69 324.381 4
Lo Low (pH 4.5-6) 2.57 5.25 -14.06 2 4 0 66 325.389 4

Activity (Go SEA)

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