UCSF

ZINC54410823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 29 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) 3.65 9.01 -22.21 3 6 0 73 394.519 9
Lo Low (pH 4.5-6) 3.65 9.44 -35.44 4 6 0 75 395.527 9

Activity (Go SEA)

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