UCSF

ZINC04406984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 26 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) 3.45 8.23 -11.54 2 8 0 127 387.808 5
Hi High (pH 8-9.5) 3.63 6.87 -31.56 1 8 -1 134 386.8 5

Activity (Go SEA)

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