UCSF

ZINC96125956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2014 14 No

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) -1.84 -2.35 -46.52 3 6 -1 104 217.226 3
Lo Low (pH 4.5-6) -1.84 -2.53 -60.66 4 6 0 106 218.234 3

Activity (Go SEA)

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

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