UCSF

ZINC39328140

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 3.44 6.57 -11.72 1 5 0 62 355.463 0
Lo Low (pH 4.5-6) 3.44 6.98 -36.31 2 5 1 64 356.471 0

Activity (Go SEA)

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