UCSF

ZINC20229161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.28 11.31 -76.83 1 9 0 120 473.913 9
Lo Low (pH 4.5-6) 3.28 10.49 -63.11 2 9 1 117 474.921 9

Activity (Go SEA)

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