UCSF

ZINC19318743

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 25 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) 2.87 9.46 -36.63 1 4 1 33 337.491 4
Hi High (pH 8-9.5) 2.87 8.51 -5.54 0 4 0 32 336.483 4
Lo Low (pH 4.5-6) 2.87 11.04 -98.36 2 4 2 35 338.499 4
Lo Low (pH 4.5-6) 2.87 11.03 -98.03 2 4 2 35 338.499 4
Lo Low (pH 4.5-6) 2.87 11.48 -186.31 3 4 3 36 339.507 4
Lo Low (pH 4.5-6) 2.87 9.91 -89.65 2 4 2 35 338.499 4
Lo Low (pH 4.5-6) 2.87 10.36 -173.93 3 4 3 36 339.507 4
Lo Low (pH 4.5-6) 2.87 9.91 -98.22 2 4 2 35 338.499 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.