UCSF

ZINC05394352

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 21 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) 2.82 9.85 -6.92 4 5 0 72 279.347 2
Lo Low (pH 4.5-6) 2.82 9.79 -38.42 5 5 1 74 280.355 2

Activity (Go SEA)

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