UCSF

ZINC58541088

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 31 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) 5.37 12.9 -12.78 0 4 0 34 412.533 5
Mid Mid (pH 6-8) 5.37 15.14 -51.1 1 4 1 36 413.541 5

Activity (Go SEA)

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