UCSF

ZINC36627930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 3.62 10.72 -40.94 2 4 1 57 352.483 4
Mid Mid (pH 6-8) 3.62 8.5 -7.99 1 4 0 56 351.475 4

Activity (Go SEA)

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