UCSF

ZINC25501219

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 18 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) 1.40 3.5 -45.94 2 6 -1 100 375.171 3
Mid Mid (pH 6-8) 1.40 3.47 -12.61 3 6 0 98 376.179 3

Activity (Go SEA)

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