UCSF

ZINC09235053

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 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) 7.55 12.83 -9.29 1 4 0 54 455.366 5
Hi High (pH 8-9.5) 8.01 10.77 -47.63 0 4 -1 58 454.358 5
Hi High (pH 8-9.5) 8.01 11.27 -44.92 0 4 -1 58 454.358 5

Activity (Go SEA)

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