UCSF

ZINC39763850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 28 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) 5.02 6.76 -14.24 1 8 0 114 414.83 4
Mid Mid (pH 6-8) 5.09 3.91 -46.25 0 8 -1 120 413.822 4

Activity (Go SEA)

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