UCSF

ZINC22971939

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 4.43 6.88 -36.79 1 5 -1 77 412.318 6
Mid Mid (pH 6-8) 4.43 6.81 -15.03 2 5 0 75 413.326 6

Activity (Go SEA)

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