UCSF

ZINC35472087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.56 11.37 -17.5 1 6 0 66 416.525 7
Lo Low (pH 4.5-6) 4.56 11.72 -47.64 2 6 1 67 417.533 7

Activity (Go SEA)

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