UCSF

ZINC39228536

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 5.78 11.01 -44.47 3 6 1 68 478.931 4
Mid Mid (pH 6-8) 5.78 8.95 -12.74 2 6 0 67 477.923 4

Activity (Go SEA)

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