UCSF

ZINC34595489

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) 0.49 1.26 -65.64 4 11 -1 163 461.505 8
Hi High (pH 8-9.5) 0.49 1.25 -122.03 3 11 -2 162 460.497 8

Activity (Go SEA)

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