UCSF

ZINC19411952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 2.28 11.6 -17.44 0 3 0 37 281.355 6
Hi High (pH 8-9.5) 3.02 11.67 -49.96 0 3 -1 43 280.347 5

Activity (Go SEA)

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