UCSF

ZINC05076430

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 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) 4.11 16.23 -14.21 0 7 0 66 393.491 6
Mid Mid (pH 6-8) 4.11 16.71 -37.1 1 7 1 67 394.499 6

Activity (Go SEA)

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