UCSF

ZINC29416549

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 28 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
Hi High (pH 8-9.5) -4.36 15.97 -149.14 1 4 3 8 393.684 9
Hi High (pH 8-9.5) -4.36 13.6 -61.87 0 4 2 6 392.676 9

Activity (Go SEA)

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