UCSF

ZINC06696780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 27 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) 3.53 11.75 -8.7 0 4 0 38 385.87 6
Mid Mid (pH 6-8) 3.53 13.56 -31.33 1 4 1 39 386.878 6

Activity (Go SEA)

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