UCSF

ZINC05865729

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 4.63 12.71 -10 0 5 0 43 394.906 5
Lo Low (pH 4.5-6) 4.63 11.78 -37.88 1 5 1 44 395.914 5
Lo Low (pH 4.5-6) 4.63 13.65 -35.09 1 5 1 44 395.914 5

Activity (Go SEA)

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