UCSF

ZINC08846014

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 28 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) 1.76 0.7 -15.2 0 6 0 76 369.38 3
Lo Low (pH 4.5-6) 1.76 0.81 -47.44 1 6 1 77 370.388 3
Lo Low (pH 4.5-6) 1.76 0.81 -42.27 1 6 1 77 370.388 3
Lo Low (pH 4.5-6) 1.76 0.92 -90.56 2 6 2 78 371.396 3

Activity (Go SEA)

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