UCSF

ZINC06564502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 22 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) 0.79 5.1 -14.93 3 9 0 125 306.326 7
Mid Mid (pH 6-8) 0.79 5.56 -46.53 4 9 1 126 307.334 7

Activity (Go SEA)

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