UCSF

ZINC59919250

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 23 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) 2.25 5.66 -41.58 1 5 -1 65 351.732 6
Mid Mid (pH 6-8) 2.25 7.95 -37.29 2 5 0 66 352.74 6

Activity (Go SEA)

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