UCSF

ZINC55414757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 22 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) 1.23 1.94 -49.03 1 8 -1 105 304.33 6
Lo Low (pH 4.5-6) 1.23 1.22 -17.23 2 8 0 102 305.338 6

Activity (Go SEA)

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

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