UCSF

ZINC05317283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 21 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) 6.20 11.69 -22.98 1 1 1 14 272.371 1
Mid Mid (pH 6-8) 6.20 11.37 -10.37 0 1 0 13 271.363 1

Activity (Go SEA)

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