UCSF

ZINC41663827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 4.17 10.6 -16.15 0 7 0 86 472.884 3
Lo Low (pH 4.5-6) 4.17 13.46 -52.17 1 7 1 87 473.892 3
Lo Low (pH 4.5-6) 4.17 11.07 -44.04 1 7 1 87 473.892 3

Activity (Go SEA)

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