UCSF

ZINC25499523

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.63 11.62 -14.21 2 6 0 80 336.395 5
Mid Mid (pH 6-8) 3.63 11.54 -15.86 3 6 0 81 337.403 5

Activity (Go SEA)

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