UCSF

ZINC09425162

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 39 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) 4.62 13.52 -45.54 0 7 -1 92 519.577 9
Lo Low (pH 4.5-6) 5.07 11.44 -56.39 2 7 1 90 521.593 8

Activity (Go SEA)

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