UCSF

ZINC07053561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 22 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) 2.41 5.44 -43.97 1 6 0 79 323.418 6
Mid Mid (pH 6-8) 2.41 5.35 -40.57 0 6 -1 78 322.41 6

Activity (Go SEA)

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