UCSF

ZINC39705560

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 27 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) 6.25 16.59 -6.45 2 6 0 66 390.894 5
Lo Low (pH 4.5-6) 6.25 17.08 -28.97 3 6 1 67 391.902 5
Lo Low (pH 4.5-6) 6.25 16.98 -28.37 3 6 1 67 391.902 5

Activity (Go SEA)

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