UCSF

ZINC15070555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 29 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) 2.19 5.38 -38.65 2 7 1 66 404.51 9
Hi High (pH 8-9.5) 2.19 3.26 -8.65 1 7 0 65 403.502 9

Activity (Go SEA)

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