UCSF

ZINC57881021

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 3.59 12.94 -65.24 2 6 1 75 386.479 5
Mid Mid (pH 6-8) 3.59 10.75 -18.79 1 6 0 74 385.471 5

Activity (Go SEA)

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