UCSF

ZINC05393209

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 26 Yes

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) 4.83 7.48 -12.39 3 5 0 77 369.49 6
Lo Low (pH 4.5-6) 4.83 7.73 -36.81 4 5 1 78 370.498 6

Activity (Go SEA)

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