UCSF

ZINC39327881

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 2.40 4.99 -10.41 3 5 0 81 338.436 3
Mid Mid (pH 6-8) 2.40 5.37 -32.89 4 5 1 82 339.444 3
Lo Low (pH 4.5-6) 2.40 5.84 -76.45 5 5 2 83 340.452 3

Activity (Go SEA)

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