UCSF

ZINC33894154

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 31 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) 4.81 12.04 -51.24 1 8 -1 124 414.397 5
Mid Mid (pH 6-8) 4.81 13.02 -115.79 0 8 -2 127 413.389 5

Activity (Go SEA)

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