UCSF

ZINC16127008

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 23 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) 3.61 4.55 -13.61 1 5 0 65 339.388 7
Hi High (pH 8-9.5) 3.61 4.64 -54.63 0 5 -1 67 338.38 7

Activity (Go SEA)

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