UCSF

ZINC25499094

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 No

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) 6.08 11.39 -53.68 0 7 -1 104 424.502 7
Mid Mid (pH 6-8) 5.63 12.5 -19.86 1 7 0 101 425.51 7

Activity (Go SEA)

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