UCSF

ZINC23040339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 15 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) 0.77 0.64 -37.61 1 5 -1 78 206.225 3
Lo Low (pH 4.5-6) 0.32 1.47 -10.07 2 5 0 75 207.233 3

Activity (Go SEA)

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

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