UCSF

ZINC25497983

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 7.06 11.32 -50.98 0 3 -1 49 377.533 6
Mid Mid (pH 6-8) 6.60 12.18 -14.06 1 3 0 46 378.541 6

Activity (Go SEA)

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