UCSF

ZINC09349836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 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) 3.26 8.26 -57.38 0 8 -1 107 518.011 8
Lo Low (pH 4.5-6) 3.26 7.43 -16.62 1 8 0 104 519.019 8

Activity (Go SEA)

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