UCSF

ZINC20780264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 33 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) 2.98 7.63 -20.92 1 8 0 94 488.635 9
Hi High (pH 8-9.5) 2.98 7.27 -54.59 0 8 -1 96 487.627 9

Activity (Go SEA)

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