UCSF

ZINC41607975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 4.08 3.98 -46.4 0 4 -1 58 295.771 5
Mid Mid (pH 6-8) 3.62 5.77 -9.56 1 4 0 55 296.779 5

Activity (Go SEA)

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