UCSF

ZINC35725030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 3.24 8.18 -120.98 4 2 2 32 296.524 5
Mid Mid (pH 6-8) 3.24 6.34 -48.27 3 2 1 31 295.516 5

Activity (Go SEA)

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