UCSF

ZINC49569476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) 2.49 8.32 -49.02 3 4 1 48 277.779 1
Hi High (pH 8-9.5) 2.49 6.39 -7.17 2 4 0 47 276.771 1
Lo Low (pH 4.5-6) 2.49 8.79 -93.91 4 4 2 50 278.787 1

Activity (Go SEA)

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

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