UCSF

ZINC15781933

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 11 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) 2.39 5.81 -3.69 0 1 0 13 149.237 2
Lo Low (pH 4.5-6) 2.39 6.02 -27.88 1 1 1 14 150.245 2

Activity (Go SEA)

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