UCSF

ZINC12921694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 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) 2.81 5.88 -6.05 1 2 0 25 176.244 2
Lo Low (pH 4.5-6) 2.81 5.77 -26.47 2 2 1 26 177.252 2

Activity (Go SEA)

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

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