UCSF

ZINC06651594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 20 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) -1.73 -4.92 -22.61 4 9 0 129 282.256 2
Lo Low (pH 4.5-6) -1.73 -4.45 -45.47 5 9 1 130 283.264 2

Activity (Go SEA)

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