UCSF

ZINC54382547

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) 3.41 9.87 -21.49 2 6 0 65 396.535 10
Lo Low (pH 4.5-6) 3.41 10.29 -35.1 3 6 0 66 397.543 10

Activity (Go SEA)

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