UCSF

ZINC35884953

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 38 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) 6.63 15.57 -42.83 1 5 1 43 513.702 9
Mid Mid (pH 6-8) 6.63 13.06 -12.02 0 5 0 42 512.694 9

Activity (Go SEA)

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