UCSF

ZINC19852516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 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) 2.76 9.26 -16.09 1 8 0 85 470.624 9
Hi High (pH 8-9.5) 2.94 8.19 -47.62 0 8 -1 92 469.616 9

Activity (Go SEA)

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