UCSF

ZINC05083563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 27 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) 4.84 12.41 -22.56 1 4 0 47 377.513 6
Mid Mid (pH 6-8) 4.84 12.85 -30.61 2 4 1 48 378.521 6

Activity (Go SEA)

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