UCSF

ZINC39696771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 27 No

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) -0.43 2.75 -48.79 3 7 1 78 399.581 6
Mid Mid (pH 6-8) -0.43 5.17 -101.6 4 7 2 80 400.589 6

Activity (Go SEA)

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