UCSF

ZINC68906244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) 0.96 3.23 -6.12 1 4 0 54 224.304 8
Lo Low (pH 4.5-6) 0.96 4.37 -43.93 2 4 1 59 225.312 8

Activity (Go SEA)

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

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