UCSF

ZINC04156893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 30 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) 5.53 15.25 -12.1 1 5 0 56 464.363 7
Lo Low (pH 4.5-6) 5.53 15.6 -27.03 2 5 1 57 465.371 7

Activity (Go SEA)

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