UCSF

ZINC25499251

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 8.27 13.54 -49 0 3 -1 49 438.016 6
Mid Mid (pH 6-8) 7.85 14.65 -10.49 1 3 0 46 439.024 6

Activity (Go SEA)

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