UCSF

ZINC21739924

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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) 3.47 7.93 -16.09 1 7 0 89 404.908 5
Hi High (pH 8-9.5) 3.93 6.84 -43.98 0 7 -1 92 403.9 5

Activity (Go SEA)

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