UCSF

ZINC01448736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.17 -0.39 -50.54 1 4 1 37 328.461 2
Lo Low (pH 4.5-6) 2.17 -0.33 -129.01 2 4 2 38 329.469 2

Activity (Go SEA)

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