UCSF

ZINC39327899

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 4.41 9.03 -10.11 3 5 0 81 442.569 5
Lo Low (pH 4.5-6) 4.41 9.44 -29.38 4 5 1 82 443.577 5

Activity (Go SEA)

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