UCSF

ZINC22716440

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 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) 6.17 12.95 -9.48 0 4 0 27 479.668 5
Mid Mid (pH 6-8) 6.17 15.22 -31.47 1 4 1 28 480.676 5
Lo Low (pH 4.5-6) 6.17 17.31 -106.07 2 4 2 29 481.684 5

Activity (Go SEA)

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

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