UCSF

ZINC13959811

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 34 Yes

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) 4.32 12.89 -48.36 2 8 1 85 478.474 8
Hi High (pH 8-9.5) 4.32 9.82 -14.8 1 8 0 84 477.466 8

Activity (Go SEA)

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