UCSF

ZINC19973793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 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) 3.34 10.83 -75.74 1 6 0 78 416.905 9
Lo Low (pH 4.5-6) 3.34 10.01 -50.06 2 6 1 75 417.913 9

Activity (Go SEA)

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