UCSF

ZINC19410152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 No

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) 2.16 8.6 -13.45 0 3 0 37 274.147 4
Hi High (pH 8-9.5) 2.91 8.54 -41.89 0 3 -1 43 273.139 3

Activity (Go SEA)

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