UCSF

ZINC17206089

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

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) 4.29 8.1 -17.56 1 6 0 78 404.492 5
Ref Reference (pH 7) 3.36 7.92 -18.43 1 6 0 75 404.492 6

Activity (Go SEA)

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