UCSF

ZINC35723487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 2.67 10.71 -26.78 1 9 0 121 423.454 5
Hi High (pH 8-9.5) 2.85 7.92 -61.33 0 9 -1 127 422.446 5

Activity (Go SEA)

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