UCSF

ZINC57995808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 2.81 8.47 -16.62 1 7 0 75 397.475 9
Mid Mid (pH 6-8) 2.81 8.96 -39.09 2 7 1 76 398.483 9

Activity (Go SEA)

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