UCSF

ZINC05249753

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 27 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) 4.13 11.27 -12.45 0 5 0 69 377.783 4
Lo Low (pH 4.5-6) 4.13 11.55 -44.12 1 5 1 71 378.791 4

Activity (Go SEA)

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