UCSF

ZINC40123224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 3.03 4.77 -54.92 2 7 -1 108 410.446 8
Lo Low (pH 4.5-6) 3.03 4.03 -14.6 3 7 0 105 411.454 8

Activity (Go SEA)

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