UCSF

ZINC28114706

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 14 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) 0.48 -1.84 -111.36 0 7 -2 102 190.166 1
Lo Low (pH 4.5-6) 0.03 -0.04 -17.47 2 7 0 100 192.182 1

Activity (Go SEA)

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

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