UCSF

ZINC25502084

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 6.16 9.16 -43.98 0 3 -1 49 373.86 5
Mid Mid (pH 6-8) 5.70 10.02 -15.47 1 3 0 46 374.868 5

Activity (Go SEA)

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