UCSF

ZINC43187755

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.13 11.53 -6.56 1 4 0 36 357.885 2
Mid Mid (pH 6-8) 5.13 11.6 -37.71 2 4 1 37 358.893 2

Activity (Go SEA)

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