UCSF

ZINC11689314

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 33 No

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) 3.54 9.45 -14.88 1 6 0 79 460.965 3
Lo Low (pH 4.5-6) 3.54 9.72 -39.49 2 6 1 80 461.973 3
Lo Low (pH 4.5-6) 3.54 9.96 -85.15 3 6 2 81 462.981 3
Lo Low (pH 4.5-6) 3.54 9.87 -48.88 2 6 1 80 461.973 3

Activity (Go SEA)

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