UCSF

ZINC05083543

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 29 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) 2.95 8.62 -26.1 1 7 0 75 411.483 6
Mid Mid (pH 6-8) 2.95 9.06 -36.15 2 7 1 76 412.491 6

Activity (Go SEA)

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