UCSF

ZINC34667099

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 1.57 2.86 -5.91 0 4 0 25 294.37 4
Mid Mid (pH 6-8) 1.57 5.12 -35.98 1 4 1 26 295.378 4

Activity (Go SEA)

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