UCSF

ZINC35157158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 25 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) 4.81 8.69 -10.77 1 5 0 48 359.857 5
Lo Low (pH 4.5-6) 4.81 9.03 -23.56 2 5 1 49 360.865 5
Lo Low (pH 4.5-6) 4.81 8.92 -33.46 2 5 1 52 360.865 5

Activity (Go SEA)

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