UCSF

ZINC04884644

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 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) 2.77 6.76 -13.6 1 7 0 90 387.461 4
Mid Mid (pH 6-8) 2.77 7.37 -42.81 0 7 -1 92 386.453 4

Activity (Go SEA)

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