UCSF

ZINC09007964

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 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) 4.86 12.47 -69.87 1 6 0 74 450.579 10
Hi High (pH 8-9.5) 4.86 9.92 -58.77 0 6 -1 73 449.571 10
Mid Mid (pH 6-8) 5.30 12.51 -44.27 2 6 1 71 451.587 9

Activity (Go SEA)

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