UCSF

ZINC26165599

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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
Ref Reference (pH 7) 1.56 -1.48 -26.16 6 8 0 139 388.42 9
Hi High (pH 8-9.5) 1.56 -0.69 -63.69 5 8 -1 142 387.412 9
Hi High (pH 8-9.5) 1.56 -0.53 -63.04 5 8 -1 142 387.412 9

Activity (Go SEA)

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