UCSF

ZINC40127531

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 4.99 9.67 -50.4 1 5 -1 78 477.334 6
Lo Low (pH 4.5-6) 4.99 8.91 -10.9 2 5 0 76 478.342 6

Activity (Go SEA)

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