UCSF

ZINC40787697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 31 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) 4.31 11.32 -11.02 0 5 0 42 413.521 5
Mid Mid (pH 6-8) 4.31 13.52 -48.87 1 5 1 43 414.529 5

Activity (Go SEA)

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