UCSF

ZINC20899098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 3.09 7.47 -17.78 2 8 0 102 465.531 5
Hi High (pH 8-9.5) 3.44 7.44 -44.75 2 8 -1 108 464.523 6

Activity (Go SEA)

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