UCSF

ZINC39227877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 6.01 11.66 -6.62 1 3 0 28 402.925 4
Mid Mid (pH 6-8) 6.01 13.55 -35.97 2 3 1 29 403.933 4

Activity (Go SEA)

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