UCSF

ZINC65165769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.23 9.29 -13.39 1 5 0 58 397.544 9
Mid Mid (pH 6-8) 3.23 11.34 -54.83 2 5 1 59 398.552 9

Activity (Go SEA)

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