UCSF

ZINC26986368

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 49 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) 4.26 9.67 -61.89 7 11 1 168 671.863 13
Hi High (pH 8-9.5) 4.26 7.63 -25.02 6 11 0 167 670.855 13

Activity (Go SEA)

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